SCHEMBL8545409

SCHEMBL8545409

CN(CC(=O)c1ccccc1)c1c(C(=O)O)[nH]c2cc(C(F)(F)F)ccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
KIF11 P52732 3/20 0.42
GPR35 Q9HC97 1/20 0.41
KMT2A Q03164 3/20 0.40
CLK1 P49759 1/20 0.40
MCL1 Q07820 2/20 0.39
MAPK1 P28482 1/20 0.39
MAP2K4 P45985 1/20 0.39
MAPK6 Q16659 1/20 0.39
MAPKAPK5 Q8IW41 1/20 0.39
MPL P40238 1/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 1/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38

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
SCHEMBL8546241 0.88 ALOX15 (0.43) MAPTTMEM97SIGMAR1KMT2AMEN1
SCHEMBL8542077 0.85 EGFR (0.41) MAPTKMT2ACLK1MAP2K4MEN1
SCHEMBL8540185 0.83 GPR17 (0.48)
SCHEMBL9583726 0.82 KIF11 (0.47) MAPTTMEM97SIGMAR1KIF11GPR35
SCHEMBL8545317 0.79 ALDH1A1 (0.49) MAPTGPR35KMT2AMEN1ALDH1A1
SCHEMBL8543818 0.76 ALOX15 (0.46)
SCHEMBL8544705 0.75 GPR17 (0.43)
SCHEMBL8545411 0.75 MAPT (0.53) MAPTKIF11GPR35KMT2ACLK1
SCHEMBL31025910 0.74 MAPT (0.55) MAPTKIF11GPR35KMT2AMAPK1
SCHEMBL8542950 0.73 DRD2 (0.47) MAPTKMT2AMAPK1MEN1ALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0483881-B1 3-Amidoindolyl derivatives MERRELL PHARMA INC (US) 1998-01-21 EP disclosed
US-5703107-A CENTRAL NERVOUS SYSTEM DISORDERS; ANALGESICS; ANTIEPILEPTIC AGENTS MERRELL PHARMACEUTICALS INC. (US) 1997-12-30 US disclosed
US-5675018-A 3-amidoindolyl derivatives MERRELL PHARMACEUTICALS INC. (US) 1997-10-07 US disclosed
US-5491153-A 3-amidoindolyl derivative MERRELL DOW PHARMACEUTICALS INC. (US) 1996-02-13 US disclosed
US-5189054-A 3-amidoindolyl derivatives and pharmaceutical compositions thereof MERRELL DOW PHARMACEUTICALS INC. (US) 1993-02-23 US disclosed
EP-0483881-A1 3-Amidoindolyl derivatives MERRELL PHARMACEUTICALS INC. (US) 1992-05-06 EP disclosed