SCHEMBL8540263

SCHEMBL8540263

CCOC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1NCC(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.42
ALOX15 P16050 9/20 0.41
MAPT P10636 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
CYP1A2 P05177 1/20 0.40
XBP1 P17861 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 2/20 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
SCHEMBL8542736 0.91 ALOX15 (0.41) TP53ALOX15MAPTALDH1A1HPGD
SCHEMBL8540435 0.90 TP53 (0.48) TP53ALOX15MAPTALDH1A1HPGD
SCHEMBL8538934 0.90 ALOX15 (0.48) TP53ALOX15MAPTALDH1A1HPGD
SCHEMBL4341047 0.88 ALDH1A1 (0.48) TP53ALOX15MAPTALDH1A1HPGD
SCHEMBL8546987 0.88 TP53 (0.43) TP53ALOX15MAPTALDH1A1HPGD
SCHEMBL8543718 0.84 TP53 (0.41) TP53ALOX15MAPTALDH1A1HPGD
SCHEMBL8545634 0.84 ALOX15 (0.43) TP53ALOX15MAPTALDH1A1HPGD
SCHEMBL8540331 0.82 MAPT (0.53) TP53ALOX15MAPTALDH1A1HPGD
SCHEMBL8542731 0.81 ALOX15 (0.41) ALOX15ALDH1A1HPGDCYP1A2XBP1
SCHEMBL8543504 0.81 ALOX15 (0.47) TP53ALOX15MAPTALDH1A1HPGD

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