SCHEMBL9012435

SCHEMBL9012435

CN(C)c1ccccc1CSc1nccn1C

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.53
KMT2A Q03164 2/20 0.52
SMN1; SMN2 Q16637 4/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
POLB P06746 1/20 0.47
THRB P10828 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HSD17B3 P37058 1/20 0.43
TP53 P04637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
HDAC1 Q13547 1/20 0.41

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
SCHEMBL9012027 0.82 L3MBTL1 (0.70) KMT2ASMN1; SMN2NPC1RAB9APOLB
SCHEMBL9802581 0.80 L3MBTL1 (0.60) KMT2ASMN1; SMN2NPC1RAB9APOLB
SCHEMBL9282079 0.77 ALDH1A1 (0.42) KMT2ASMN1; SMN2NPC1RAB9APOLB
SCHEMBL9666041 0.76 CYP1A2 (0.46) SMN1; SMN2NPC1RAB9ACYP1A2CYP3A4
SCHEMBL9012512 0.76 L3MBTL1 (0.46) ELANESMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL9803096 0.76 CYP1A2 (0.46) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL9011885 0.76 L3MBTL1 (0.54) SMN1; SMN2NPC1RAB9ACYP1A2CYP3A4
SCHEMBL9261788 0.74 NPC1 (0.46) KMT2ASMN1; SMN2NPC1RAB9APOLB
SCHEMBL9263323 0.73 ALDH1A1 (0.39) KMT2ASMN1; SMN2NPC1RAB9APOLB
Hydrochloric Acid SCHEMBL9287232 0.73 NPC1 (0.45) KMT2ASMN1; SMN2NPC1RAB9APOLB

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-5523317-A ADMINISTERING IMIDAZOLE DERIVATIVE NIPPON CHEMIPHAR CO., LTD. (JP) 1996-06-04 US disclosed
EP-0633026-A1 Use of imidazole derivative for antihypertensive agent NIPPON CHEMIPHAR CO., LTD. (JP) 1995-01-11 EP disclosed