SCHEMBL8545319

SCHEMBL8545319

O=C(CCNc1c(C(=O)O)[nH]c2cc([N+](=O)[O-])ccc12)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.50
MEN1 O00255 7/20 0.46
KMT2A Q03164 7/20 0.46
ALDH1A1 P00352 6/20 0.46
POLB P06746 3/20 0.46
PKM P14618 1/20 0.46
NPY1R P25929 1/20 0.46
NPY2R P49146 1/20 0.46
KDM4E B2RXH2 2/20 0.42
GAA P10253 2/20 0.42
THRB P10828 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
CDK2 P24941 3/20 0.41
MAPK1 P28482 1/20 0.39
MPI P34949 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GPR35 Q9HC97 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL9582809 0.89 MAPT (0.49) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL8541778 0.87 ALDH1A1 (0.45) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL8540189 0.82 GPR17 (0.50) MAPTALDH1A1
SCHEMBL8542080 0.82 KMT2A (0.44) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL8545411 0.80 MAPT (0.53) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL8545593 0.77 KDM4E (0.46) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL8545317 0.75 ALDH1A1 (0.49) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL8544709 0.73 GPR17 (0.45) MAPTKMT2A
SCHEMBL7507615 0.73 MEN1 (0.50) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL8538337 0.72 ALDH1A1 (0.49) MAPTMEN1KMT2AALDH1A1POLB

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