SCHEMBL20156597

SCHEMBL20156597

Cc1ccc(-n2nnc3ccccc32)nc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.61
SMN1; SMN2 Q16637 3/20 0.52
TSHR P16473 1/20 0.52
ALDH1A1 P00352 4/20 0.48
GAA P10253 2/20 0.48
KCNMA1 Q12791 1/20 0.45
SLC9A1 P19634 3/20 0.44
KEAP1 Q14145 1/20 0.44
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP2C9 P11712 2/20 0.41
CCNE1 P24864 2/20 0.41
CDK2 P24941 2/20 0.41
MAPK8 P45983 2/20 0.41
MAPK9 P45984 2/20 0.41
MAPK10 P53779 1/20 0.41
POLB P06746 2/20 0.41
MAPK1 P28482 1/20 0.41
ATM Q13315 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
SCHEMBL16100065 0.81 ALDH1A1 (0.53) RAB9ASMN1; SMN2TSHRALDH1A1KDM4E
SCHEMBL15780431 0.81 RAB9A (0.57) RAB9ASMN1; SMN2TSHRALDH1A1GAA
SCHEMBL12175465 0.81 RAB9A (0.61) RAB9ASMN1; SMN2TSHRALDH1A1GAA
SCHEMBL11612094 0.81 RAB9A (0.61) RAB9ASMN1; SMN2TSHRALDH1A1KCNMA1
SCHEMBL18517578 0.78 RAB9A (0.54) RAB9ASMN1; SMN2TSHRALDH1A1KCNMA1
SCHEMBL22360756 0.77 RAB9A (0.56) RAB9ASMN1; SMN2TSHRALDH1A1GAA
SCHEMBL172700 0.76 ALDH1A1 (0.56) RAB9ASMN1; SMN2TSHRALDH1A1GAA
SCHEMBL678640 0.76 RAB9A (1.00) RAB9ASMN1; SMN2TSHRALDH1A1KCNMA1
SCHEMBL30355239 0.76 RAB9A (1.00) RAB9ASMN1; SMN2TSHRALDH1A1KCNMA1
SCHEMBL27447612 0.76 RAB9A (0.51) RAB9ASMN1; SMN2TSHRALDH1A1GAA

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
WO-2018089904-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS 3-V BIOSCIENCES, INC. (US) 2018-05-17 WO disclosed