SCHEMBL9729220

SCHEMBL9729220

CCCCCCCCCCCCn1cnc(N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.46
TLR8 Q9NR97 2/20 0.43
KDR P35968 5/20 0.43
CPB2 Q96IY4 3/20 0.42
NPC1 O15118 6/20 0.41
RAB9A P51151 6/20 0.41
HTT P42858 5/20 0.41
LMNA P02545 3/20 0.41
GALR3 O60755 2/20 0.41
POLB P06746 2/20 0.41
ATM Q13315 2/20 0.41
MAPK1 P28482 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
APOBEC3A P31941 2/20 0.41
APOBEC3G Q9HC16 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HSP90AA1 P07900 1/20 0.41
MAPT P10636 1/20 0.41
RAD52 P43351 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
Hydrochloric Acid SCHEMBL28942678 0.91 CPB2 (0.44) TBXAS1TLR8KDRCPB2LMNA
SCHEMBL24925524 0.84
Hydrochloric Acid SCHEMBL22833798 0.82 KDM5A (0.40) TLR8CPB2TDP1CPB1
SCHEMBL27744433 0.81 ADORA2B (0.32) CPB2CPB1
SCHEMBL27744446 0.79 CPB2 (0.39) CPB2NPC1RAB9AHTTLMNA
SCHEMBL1766186 0.79 TBXAS1 (0.47) TBXAS1CPB2NPC1RAB9AHTT
SCHEMBL9625581 0.79 TBXAS1 (0.47) TBXAS1CPB2NPC1RAB9AHTT
SCHEMBL9625860 0.79 TBXAS1 (0.47) TBXAS1CPB2NPC1RAB9AHTT
SCHEMBL2945045 0.79 TBXAS1 (0.47) TBXAS1CPB2NPC1RAB9AHTT
SCHEMBL9625488 0.79 TBXAS1 (0.47) TBXAS1CPB2NPC1RAB9AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5162360-A Treating hypercholesterolemia and atherosclerosis; ACAT acyl-coenzyme A:-cholesterol acyltransferase WARNER-LAMBERT COMPANY (US) 1992-11-10 US disclosed