SCHEMBL28851024

SCHEMBL28851024

CCSc1cc(C(=O)NN)ccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.47
MPO P05164 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP1A2 P05177 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2A6 P11509 1/20 0.47
CYP2C19 P33261 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 1/20 0.46
ALDH1A1 P00352 6/20 0.40
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
MAPT P10636 4/20 0.38
P2RX7 Q99572 2/20 0.37
BLM P54132 2/20 0.37
KDM5A P29375 1/20 0.37
GFER P55789 1/20 0.37

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
SCHEMBL28420161 0.88 KDM4E (0.45) KDM4EMPOCYP3A4CYP1A2ADORA3
SCHEMBL10796248 0.85 DDB1 (0.46) KDM4ECYP3A4CYP1A2NPC1RAB9A
SCHEMBL1648244 0.82 KDM4C (0.50) KDM4ENPC1RAB9ASMN1; SMN2HPGD
SCHEMBL31706136 0.81 HPGD (0.67) KDM4ENPC1RAB9ASMN1; SMN2HPGD
SCHEMBL20590890 0.81 HPGD (0.67) KDM4ENPC1RAB9ASMN1; SMN2HPGD
SCHEMBL4002804 0.76 KDM4E (0.45) KDM4EMPOCYP3A4CYP1A2ADORA3
SCHEMBL2989555 0.76 CYP1A2 (0.60) KDM4EMPOCYP3A4CYP1A2ADORA3
SCHEMBL29123005 0.75 DDB1 (0.43) KDM4ECYP3A4CYP1A2NPC1RAB9A
SCHEMBL1543956 0.75 KDM4E (0.55) KDM4EMPOCYP3A4CYP1A2ADORA3
SCHEMBL30637340 0.75 KDM4E (0.55) KDM4EMPOCYP3A4CYP1A2ADORA3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111848832-B Application of fluorine-containing compound modified cationic polymer as drug carrier and preparation method thereof 苏州大学 2024-02-20 CN disclosed
CN-114127265-A Method for enhancing stem cell efficacy by using ethionamide 社会福祉法人三星生命公益财团 2022-03-01 CN disclosed