SCHEMBL31444491

SCHEMBL31444491

C=CCC(N)c1ccccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.44
PDCD1LG2 Q9BQ51 2/20 0.42
CD274 Q9NZQ7 2/20 0.42
AOC3 Q16853 1/20 0.39
IDO1 P14902 2/20 0.38
TDO2 P48775 2/20 0.38
IDO2 Q6ZQW0 2/20 0.38
CYP2C19 P33261 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP3A4 P08684 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 1/20 0.37
NFKB1 P19838 1/20 0.37
PNMT P11086 1/20 0.37
LMNA P02545 2/20 0.36
GLA P06280 1/20 0.36
DPP4 P27487 1/20 0.36
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
CFD P00746 1/20 0.35

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
SCHEMBL2473298 0.86 PDCD1LG2 (0.44) NISCHPDCD1LG2CD274CYP2C19ALDH1A1
SCHEMBL3919624 0.85 PNMT (0.52) NISCHPDCD1LG2CD274IDO1TDO2
SCHEMBL268860 0.81 NISCH (0.44) NISCHAOC3IDO1TDO2IDO2
SCHEMBL2474146 0.80 PDCD1LG2 (0.45) NISCHPDCD1LG2CD274AOC3IDO1
SCHEMBL31257276 0.77 ADRB2 (0.50) NISCHAOC3IDO1TDO2IDO2
SCHEMBL29295702 0.77 ADRB2 (0.42) NISCHAOC3IDO1TDO2IDO2
SCHEMBL8995483 0.77 ESR1 (0.41) PDCD1LG2CD274CYP2C19ALDH1A1CYP3A4
SCHEMBL19332982 0.77 CYP2C19 (0.38) PDCD1LG2CD274IDO1TDO2CYP2C19
SCHEMBL9749736 0.77 TSHR (0.42) PDCD1LG2CD274CYP2C19ALDH1A1CYP3A4
SCHEMBL2328835 0.77 CYP2C19 (0.38) PDCD1LG2CD274IDO1TDO2CYP2C19

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-2025072451-A1 RAS-PI3K INHIBITORS FOR THE TREATMENT OF CANCER AND IMMUNOLOGICAL DISEASES VIVIDION THERAPEUTICS, INC. (US) 2025-04-03 WO disclosed