SCHEMBL8540331

SCHEMBL8540331

CCOC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1NCC(=O)c1ccccc1F

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
TP53 P04637 3/20 0.48
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
CYP1A2 P05177 1/20 0.44
XBP1 P17861 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALOX15 P16050 8/20 0.43
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
MDM2 Q00987 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL8540198 0.92 MAPT (0.51) MAPTTP53KMT2AALDH1A1HPGD
SCHEMBL4341047 0.87 ALDH1A1 (0.48) MAPTTP53ALDH1A1HPGDCYP1A2
SCHEMBL8538934 0.86 ALOX15 (0.48) MAPTTP53KMT2AALDH1A1HPGD
SCHEMBL8538972 0.85 ALOX15 (0.47) MAPTTP53KMT2AALDH1A1HPGD
SCHEMBL8540435 0.85 TP53 (0.48) MAPTTP53ALDH1A1HPGDCYP1A2
SCHEMBL8545634 0.85 ALOX15 (0.43) MAPTTP53KMT2AALDH1A1HPGD
SCHEMBL8546987 0.82 TP53 (0.43) MAPTTP53ALDH1A1HPGDCYP1A2
SCHEMBL8540263 0.82 TP53 (0.42) MAPTTP53ALDH1A1HPGDCYP1A2
SCHEMBL8540191 0.82 MAPT (0.46) MAPTTP53ALDH1A1HPGDCYP1A2
SCHEMBL8543718 0.79 TP53 (0.41) MAPTTP53KMT2AALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5189054-A 3-amidoindolyl derivatives and pharmaceutical compositions thereof MERRELL DOW PHARMACEUTICALS INC. (US) 1993-02-23 US claimed
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