SCHEMBL9851981

SCHEMBL9851981

N#Cc1ccc(CSc2nc[nH]n2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.54
CDC7 O00311 1/20 0.49
DBF4 Q9UBU7 1/20 0.49
RAB9A P51151 2/20 0.48
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CTSB P07858 1/20 0.47
MAOB P27338 5/20 0.47
MAOA P21397 4/20 0.47
ALPL P05186 1/20 0.46
DAO P14920 1/20 0.43
TSHR P16473 3/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP2A6 P11509 1/20 0.42
RECQL P46063 1/20 0.42
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
IDO1 P14902 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
SCHEMBL13750190 0.87 MAPK1 (0.44) RAB9ASMN1; SMN2TSHRALDH1A1RECQL
SCHEMBL13870209 0.79 RECQL (0.54) L3MBTL1RAB9AMAPTSMN1; SMN2TSHR
SCHEMBL14027386 0.79 MAPK1 (0.59) L3MBTL1CDC7DBF4RAB9AMAPT
SCHEMBL5376203 0.78 HSD17B10 (0.58) CDC7DBF4RAB9AMAPTSMN1; SMN2
SCHEMBL13778173 0.76 DAO (0.50) RAB9AMAPTSMN1; SMN2DAOTSHR
SCHEMBL8445012 0.76 NPC1 (0.57) RAB9ASMN1; SMN2CTSBMAOBMAOA
SCHEMBL4330308 0.75 NPC1 (0.36) RAB9AMAPTSMN1; SMN2TSHRALDH1A1
SCHEMBL690958 0.73 HRH3 (0.54) CDC7DBF4MAOBALDH1A1CYP2A6
Hydrochloric Acid SCHEMBL690028 0.72 HRH3 (0.53) CDC7DBF4MAOBALDH1A1CYP2A6
SCHEMBL19877208 0.72 KCNJ1 (0.42) CDC7DBF4MAOBMAOADAO

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
EP-0422369-A2 Substituted carbamoyltriazoles BAYER AG (DE) 1991-04-17 EP disclosed