SCHEMBL21752802

SCHEMBL21752802

COCCCNc1ncncn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 2/20 0.47
HTT P42858 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 5/20 0.42
HSD17B10 Q99714 1/20 0.40
EIF2AK2 P19525 2/20 0.39
HTR2A P28223 1/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 2/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
NPC1 O15118 1/20 0.35
LDHA P00338 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10879108 0.88 KCNH3 (0.46) KCNH3HTTSMN1; SMN2LMNAALDH1A1
SCHEMBL12634194 0.78 KCNH3 (0.45) KCNH3HTTSMN1; SMN2LMNAALDH1A1
SCHEMBL30408140 0.78 ALDH1A1 (0.33) HTTSMN1; SMN2ALDH1A1CYP1A2CYP2C19
SCHEMBL12467640 0.78 KCNH3 (0.45) KCNH3HTTSMN1; SMN2LMNAALDH1A1
SCHEMBL4723163 0.78 HCAR3 (0.41) KCNH3SMN1; SMN2LMNAALDH1A1NPSR1
SCHEMBL8854525 0.78 KCNH3 (0.49) KCNH3HTTSMN1; SMN2LMNAALDH1A1
SCHEMBL11345327 0.77 KCNH3 (0.64) KCNH3ALDH1A1EIF2AK2HTR2AMAPT
SCHEMBL514930 0.76 KCNH3 (0.46) KCNH3SMN1; SMN2LMNAALDH1A1NPSR1
SCHEMBL3828795 0.75 HSP90AA1 (0.35) LMNAALDH1A1CYP1A2CYP2C19CYP3A4
SCHEMBL16160635 0.75 CYP1A2 (0.55) KCNH3HTTSMN1; SMN2LMNAALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210197116-A1 METHOD OF SCAVENGING ACID SULFIDE SPECIES INNOSPEC LIMITED (GB) 2021-07-01 US claimed
US-20210198129-A1 METHODS, PRODUCTS & USES RELATING TO SCAVENGING OF ACIDIC SULFIDE SPECIES INNOSPEC LIMITED (GB) 2021-07-01 US claimed
EP-3840858-A1 METHOD OF SCAVENGING ACID SULFIDE SPECIES Innospec Limited (GB) 2021-06-30 EP claimed
EP-3840857-A1 METHODS, PRODUCTS & USES RELATING TO SCAVENGING OF ACIDIC SULFIDE SPECIES Innospec Limited (GB) 2021-06-30 EP claimed
CN-112770828-A Methods, products and uses relating to the removal of acidic sulfide species 因诺斯佩克有限公司 2021-05-07 CN claimed
CN-112654415-A Method for removing acidic sulfide substances 因诺斯佩克有限公司 2021-04-13 CN claimed
WO-2020039199-A1 METHOD OF SCAVENGING ACID SULFIDE SPECIES INNOSPEC LIMITED (GB) 2020-02-27 WO claimed
WO-2020039200-A1 METHODS, PRODUCTS & USES RELATING TO SCAVENGING OF ACIDIC SULFIDE SPECIES INNOSPEC LIMITED (GB) 2020-02-27 WO claimed
US-20230340339-A1 Amelioration of solids formation in spent hydrogen sulfide scavengers CANADIAN ENERGY SERVICES L.P. (CA) 2023-10-26 US disclosed
US-20210198129-A1 METHODS, PRODUCTS & USES RELATING TO SCAVENGING OF ACIDIC SULFIDE SPECIES INNOSPEC LIMITED (GB) 2021-07-01 US disclosed
US-20210197116-A1 METHOD OF SCAVENGING ACID SULFIDE SPECIES INNOSPEC LIMITED (GB) 2021-07-01 US disclosed
EP-3840858-A1 METHOD OF SCAVENGING ACID SULFIDE SPECIES Innospec Limited (GB) 2021-06-30 EP disclosed
EP-3840857-A1 METHODS, PRODUCTS & USES RELATING TO SCAVENGING OF ACIDIC SULFIDE SPECIES Innospec Limited (GB) 2021-06-30 EP disclosed
CN-112770828-A Methods, products and uses relating to the removal of acidic sulfide species 因诺斯佩克有限公司 2021-05-07 CN disclosed
CN-112654415-A Method for removing acidic sulfide substances 因诺斯佩克有限公司 2021-04-13 CN disclosed
WO-2020039199-A1 METHOD OF SCAVENGING ACID SULFIDE SPECIES INNOSPEC LIMITED (GB) 2020-02-27 WO disclosed
WO-2020039200-A1 METHODS, PRODUCTS & USES RELATING TO SCAVENGING OF ACIDIC SULFIDE SPECIES INNOSPEC LIMITED (GB) 2020-02-27 WO disclosed