SCHEMBL11565220

SCHEMBL11565220

CCc1ccccc1-c1nnc(NN)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.46
ALDH1A1 P00352 7/20 0.46
HSD17B10 Q99714 6/20 0.46
HPGD P15428 4/20 0.46
RAB9A P51151 8/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
NPC1 O15118 9/20 0.41
TSHR P16473 1/20 0.41
TP53 P04637 3/20 0.40
CYP1A2 P05177 1/20 0.40
AHR P35869 1/20 0.40
PKM P14618 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
LMNA P02545 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
WNT3A P56704 1/20 0.38
PTGS1 P23219 1/20 0.38

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
Hydrochloric Acid SCHEMBL11562718 0.98 KDM4E (0.44) KDM4EALDH1A1HSD17B10HPGDRAB9A
SCHEMBL23292591 0.81 KDM4E (0.55) KDM4EALDH1A1HSD17B10HPGDRAB9A
SCHEMBL11360870 0.80 KDM4E (0.59) KDM4EALDH1A1HSD17B10HPGDRAB9A
SCHEMBL11560255 0.78 ALDH1A1 (0.57) KDM4EALDH1A1HSD17B10HPGDRAB9A
Hydrochloric Acid SCHEMBL11561831 0.77 ALDH1A1 (0.56) KDM4EALDH1A1HSD17B10HPGDRAB9A
SCHEMBL11563269 0.75 PTGS1 (0.56) KDM4EALDH1A1HSD17B10HPGDRAB9A
SCHEMBL11561268 0.75 KDM4E (0.53) KDM4EALDH1A1HSD17B10HPGDRAB9A
Hydrochloric Acid SCHEMBL11565791 0.74 PTGS1 (0.55) KDM4EALDH1A1HSD17B10HPGDRAB9A
SCHEMBL23635873 0.74 KDM4E (0.54) KDM4EALDH1A1HSD17B10HPGDRAB9A
Hydrochloric Acid SCHEMBL11566891 0.74 KDM4E (0.52) KDM4EALDH1A1HSD17B10HPGDRAB9A

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
US-4147794-A Treatment of hypertension with thiadiazoles RECKITT & COLMAN PRODUCTS LIMITED (GB) 1979-04-03 US claimed
US-4147794-A Treatment of hypertension with thiadiazoles RECKITT & COLMAN PRODUCTS LIMITED (GB) 1979-04-03 US disclosed