SCHEMBL8545634

SCHEMBL8545634

CCOC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1NCC(=O)c1cccc(F)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 8/20 0.43
HPGD P15428 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
XBP1 P17861 1/20 0.42
CYP2C19 P33261 1/20 0.42
TP53 P04637 1/20 0.42
KMT2A Q03164 4/20 0.42
MDM2 Q00987 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.41
GAA P10253 2/20 0.40

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
SCHEMBL8540699 0.91 HPGD (0.43) ALOX15HPGDALDH1A1CYP1A2XBP1
SCHEMBL8538934 0.90 ALOX15 (0.48) ALOX15HPGDALDH1A1CYP1A2XBP1
SCHEMBL4341047 0.89 ALDH1A1 (0.48) ALOX15HPGDALDH1A1CYP1A2XBP1
SCHEMBL8540435 0.87 TP53 (0.48) ALOX15HPGDALDH1A1CYP1A2XBP1
SCHEMBL4342137 0.86 GRIN1 (0.49) CYP1A2KMT2AMEN1MAPK1
SCHEMBL8540331 0.85 MAPT (0.53) ALOX15HPGDALDH1A1CYP1A2XBP1
SCHEMBL8546987 0.85 TP53 (0.43) ALOX15HPGDALDH1A1CYP1A2XBP1
SCHEMBL8540263 0.84 TP53 (0.42) ALOX15HPGDALDH1A1CYP1A2XBP1
SCHEMBL8543718 0.81 TP53 (0.41) ALOX15HPGDALDH1A1CYP1A2XBP1
SCHEMBL8540696 0.81 ALOX15 (0.43) ALOX15HPGDALDH1A1CYP1A2XBP1

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