SCHEMBL18286158

SCHEMBL18286158

CC(=O)Nc1ccc(C(=O)N2CCCCC2c2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PREP P48147 2/20 0.58
NAMPT P43490 1/20 0.52
PARP14 Q460N5 1/20 0.52
PARP10 Q53GL7 1/20 0.52
TRPC3 Q13507 1/20 0.51
TRPC6 Q9Y210 1/20 0.51
AVPR1A P37288 1/20 0.50
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.50
PRMT5 O14744 3/20 0.49
WDR77 Q9BQA1 3/20 0.49
ROCK2 O75116 1/20 0.49
HSD11B1 P28845 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ATM Q13315 1/20 0.49
RIPK1 Q13546 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
SCHEMBL18283321 0.96 PREP (0.62) PREPNAMPTPARP14PARP10AVPR1A
SCHEMBL27261597 0.95 PREP (0.55) PREPNAMPTPARP14PARP10TRPC3
SCHEMBL8596155 0.84 PARP14 (0.62) PARP14PARP10TRPC3TRPC6ALDH1A1
SCHEMBL18286135 0.82 HSP90AA1 (0.52) PREPAVPR1AALDH1A1MEN1KMT2A
SCHEMBL18286153 0.81 GAA (0.75) PREPNAMPTAVPR1AALDH1A1GAA
SCHEMBL18275063 0.80 RORC (0.59) HSD11B1MEN1KMT2A
SCHEMBL18275345 0.77 HSD11B1 (0.56) ALDH1A1GAAHSD11B1MEN1KMT2A
SCHEMBL9336982 0.77 RIPK1 (0.63) PARP14PARP10TRPC3TRPC6PRMT5
SCHEMBL19971958 0.77 MAPT (0.47) PREPALDH1A1GAAMEN1KMT2A
SCHEMBL13753548 0.77 PREP (0.70) PREPNAMPTALDH1A1GAAHSD11B1

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
EP-3303291-A1 ROR GAMMA (ROR ) MODULATORS Lead Pharma Holding B.V. (NL) 2018-04-11 EP claimed
WO-2016193452-A1 ROR GAMMA (RORγ) MODULATORS LEAD PHARMA CEL MODELS IP B.V. (NL) 2016-12-08 WO claimed