SCHEMBL31723235

SCHEMBL31723235

COc1cc(Nc2cc(C)cc(N)c2Cl)ccc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.43
TDO2 P48775 4/20 0.42
IDO1 P14902 3/20 0.42
P2RY4 P51582 1/20 0.42
PIK3CA P42336 1/20 0.41
RAB9A P51151 1/20 0.41
LMNA P02545 1/20 0.40
RAPGEF4 Q8WZA2 1/20 0.40
THRB P10828 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PRMT7 Q9NVM4 1/20 0.39
GRM4 Q14833 3/20 0.38
BACE2 Q9Y5Z0 2/20 0.38
MAPT P10636 1/20 0.38
MAPK13 O15264 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
MAPK14 Q16539 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL22232416 1.00 KCNH2 (0.43) KCNH2TDO2IDO1P2RY4PIK3CA
SCHEMBL29454060 1.00 KCNH2 (0.43) KCNH2TDO2IDO1P2RY4PIK3CA
SCHEMBL29454201 0.90 ABCG2 (0.41) TDO2IDO1PIK3CARAB9ARAPGEF4
SCHEMBL22231715 0.90 ABCG2 (0.41) TDO2IDO1PIK3CARAB9ARAPGEF4
SCHEMBL22232610 0.85 RAPGEF4 (0.51) TDO2IDO1PIK3CARAPGEF4HPGD
SCHEMBL31723230 0.85 RAPGEF4 (0.51) TDO2IDO1PIK3CARAPGEF4HPGD
SCHEMBL29454076 0.85 RAPGEF4 (0.51) TDO2IDO1PIK3CARAPGEF4HPGD
SCHEMBL22232357 0.79 MAPT (0.53) RAB9ALMNATHRBSMN1; SMN2MAPT
SCHEMBL29454142 0.79 MAPT (0.53) RAB9ALMNATHRBSMN1; SMN2MAPT
SCHEMBL22231721 0.79 BPTF (0.41) TDO2IDO1RAB9ARAPGEF4THRB

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-4647426-A2 3-SUBSTITUTED PHENYLAMIDINE COMPOUNDS, PREPARATION AND USE THEREOF PI Industries Ltd. (IN) 2025-11-12 EP claimed