SCHEMBL8538339

SCHEMBL8538339

CCOC(=O)c1c(NCC(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2n1C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ELANE P08246 5/20 0.47
MDM2 Q00987 5/20 0.44
MAPT P10636 1/20 0.42
F2 P00734 4/20 0.42
PLAU P00749 4/20 0.42
CTRB1 P17538 4/20 0.42
PKM P14618 1/20 0.40
AR P10275 1/20 0.40
KLKB1 P03952 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALOX12 P18054 1/20 0.39
ITGA4 P13612 1/20 0.39
ITGB7 P26010 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
THRB P10828 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
SCHEMBL8545030 0.92 ELANE (0.46) ELANEMDM2MAPTF2PLAU
SCHEMBL8545442 0.86 MDM2 (0.46) ELANEMDM2MEN1KMT2AALDH1A1
SCHEMBL8545584 0.84 MDM2 (0.45) ELANEMDM2MEN1KMT2A
SCHEMBL8545517 0.83 MDM2 (0.49) ELANEMDM2MAPTMEN1KMT2A
SCHEMBL8545025 0.83 ELANE (0.45) ELANEMDM2MAPTF2PLAU
SCHEMBL8541617 0.79 MDM2 (0.49) MDM2ALDH1A1
SCHEMBL8544978 0.78 MDM2 (0.42) ELANEMDM2MAPTMEN1KMT2A
SCHEMBL8540513 0.77 MDM2 (0.48) ELANEMDM2MAPTMEN1KMT2A
SCHEMBL8545400 0.76 MDM2 (0.41) ELANEMDM2MAPTMEN1KMT2A
SCHEMBL8545593 0.76 KDM4E (0.46) ELANEMAPTF2MEN1KMT2A

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