SCHEMBL8540448

SCHEMBL8540448

COC(=O)c1[nH]c2cc(Cl)ccc2c1NCC(=O)c1ccc(F)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 4/20 0.43
HPGD P15428 3/20 0.43
ALOX15 P16050 7/20 0.43
HSD17B10 Q99714 2/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
GAA P10253 2/20 0.41
NPC1 O15118 1/20 0.41
ALOX12 P18054 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAP2K4 P45985 1/20 0.41
NR4A2 P43354 1/20 0.40
MDM2 Q00987 2/20 0.40
LMNA P02545 1/20 0.40
PKM P14618 1/20 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
SCHEMBL8543687 0.91 ALOX15 (0.49) KDM4EMAPTALDH1A1HPGDALOX15
SCHEMBL8542860 0.90 ALOX15 (0.43) KDM4EMAPTALDH1A1HPGDALOX15
SCHEMBL8541820 0.88 KDM4E (0.46) KDM4EMAPTALDH1A1HPGDALOX15
SCHEMBL8540500 0.86 ALDH1A1 (0.51) KDM4EMAPTALDH1A1HPGDALOX15
SCHEMBL8543240 0.80 ALOX15 (0.48) KDM4EMAPTALDH1A1HPGDALOX15
SCHEMBL8542858 0.80 ALOX15 (0.42) ALOX15MAP2K4NR4A2MDM2
SCHEMBL8545071 0.78 KDM4E (0.45) KDM4EMAPTALDH1A1HPGDALOX15
SCHEMBL8542226 0.78 GPR17 (0.46) MDM2
SCHEMBL8545851 0.77 ALOX15 (0.60) ALDH1A1HPGDALOX15MDM2
SCHEMBL8543911 0.76 KDM4E (0.46) KDM4EMAPTALDH1A1HPGDALOX15

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