SCHEMBL16645309

SCHEMBL16645309

Ic1ccc(-c2nn[nH]n2)cc1

nearest known ligand 0.75

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADH5 P11766 1/20 0.75
RPA1 P27694 1/20 0.64
ATM Q13315 1/20 0.64
XDH P47989 8/20 0.58
TP53 P04637 3/20 0.58
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
ALDH1A1 P00352 2/20 0.53
HPGDS O60760 1/20 0.52
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP19A1 P11511 1/20 0.50
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
ESR2 Q92731 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL9984638 0.89 ADH5 (0.95) ADH5RPA1ATMXDHTP53
SCHEMBL12818241 0.80 GP6 (0.65) ADH5RPA1ATMXDHTP53
SCHEMBL467316 0.78 ATM (1.00) ADH5RPA1ATMXDHTP53
SCHEMBL1777649 0.78 ADH5 (0.75) ADH5RPA1ATMXDHTP53
SCHEMBL14347139 0.78 ADH5 (0.75) ADH5RPA1ATMXDHTP53
SCHEMBL2667739 0.78 ADH5 (0.75) ADH5RPA1ATMXDHTP53
SCHEMBL17208852 0.78 ADH5 (0.75) ADH5RPA1ATMXDHTP53
SCHEMBL1248039 0.78 ADH5 (0.75) ADH5RPA1ATMXDHTP53
SCHEMBL8295416 0.78 RPA1 (1.00) ADH5RPA1ATMXDHTP53
SCHEMBL2645809 0.78 ADH5 (0.75) ADH5RPA1ATMXDHTP53

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
WO-2020145250-A1 15-PGDH INHIBITOR 杏林製薬株式会社 2020-07-16 WO disclosed
WO-2015052675-A1 SUBSTITUTED DIHYDRO-BENZIMIDAZOLE COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2015-04-16 WO disclosed