SCHEMBL18555481

SCHEMBL18555481

COc1ccc(Cn2c(=O)n(CC(=O)O)c3ccc(C#Cc4cccnc4)cc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.43
PIK3CD O00329 1/20 0.43
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43
GABRA5 P31644 2/20 0.42
GABRA1 P14867 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CCR2 P41597 1/20 0.40
ERN1 O75460 1/20 0.40
TBXA2R P21731 2/20 0.39
TBXAS1 P24557 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
RAB9A P51151 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL18555403 0.84 PRMT5 (0.44) PRMT5WDR77MEN1KMT2ACCR2
SCHEMBL18555694 0.81 PRMT5 (0.46) PRMT5WDR77MEN1KMT2ACCR2
SCHEMBL18555749 0.79 FFAR1 (0.45) FFAR1ERN1PTGDR2
SCHEMBL11257792 0.78 MEN1 (0.64) GABRA5MEN1KMT2ATBXA2RMAPT
SCHEMBL10254276 0.77 MAPT (0.44) PIK3CDGABRA5GABRA1MEN1KMT2A
SCHEMBL18555697 0.76 PTGS2 (0.52) MEN1KMT2ACCR2
SCHEMBL18180375 0.71 APEX1 (0.57)
SCHEMBL11262469 0.71 TSHR (0.63) KMT2AMAPTRXFP1
SCHEMBL18555395 0.70 FFAR1 (0.46) FFAR1ERN1PTGDR2
SCHEMBL703609 0.69 APP (0.52) FFAR1KMT2AERN1CYP3A4CYP2D6

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-2017035415-A1 ALKYNE COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-02 WO disclosed