SCHEMBL9300583

SCHEMBL9300583

Cc1csc([C@H](N)c2ccccc2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.42
GRM5 P41594 1/20 0.41
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
NOS1 P29475 1/20 0.39
NPC1 O15118 2/20 0.39
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
LMNA P02545 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
PDE10A Q9Y233 1/20 0.38
SLC6A3 Q01959 2/20 0.36
CHRM1 P11229 1/20 0.36
HRH1 P35367 1/20 0.36
KCNH2 Q12809 1/20 0.36

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 SCHEMBL3436866 0.79 RAB9A (0.40) RAB9AKMT2AGAAPOLBSMN1; SMN2
SCHEMBL6983589 0.77 ALDH1A1 (0.55) RAB9AKMT2ASMN1; SMN2NPC1MEN1
SCHEMBL2885153 0.72
SCHEMBL8035870 0.72
SCHEMBL24962537 0.72
Hydrochloric Acid SCHEMBL6937140 0.68 HRH1 (0.49) RAB9AKMT2AGAAGRM5POLB
SCHEMBL8432353 0.67 CTSA (0.46) RAB9AGRM5NPC1LMNASLC6A3
SCHEMBL8066149 0.67 SMN1; SMN2 (0.42) RAB9AKMT2AGAASMN1; SMN2NOS1
SCHEMBL4523489 0.67 DPP4 (0.38) KMT2ASMN1; SMN2MAPTHTTDPP4
Aminodiphenylmethane SCHEMBL28108798 0.66 DPP4 (0.58) LMNADPP4

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-5280027-A Quinazoline containing compound IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-01-18 US disclosed
EP-0459730-A2 Anti-tumour compounds ZENECA LIMITED (GB) 1991-12-04 EP disclosed