SCHEMBL7989773

SCHEMBL7989773

COCC1=C(C(=O)OCc2ccccc2)C(c2ccc(F)c(F)c2)NC(OC)=N1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.46
TSHR P16473 2/20 0.46
BLM P54132 1/20 0.46
PKM P14618 1/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPK10 P53779 1/20 0.41
ADORA2B P29275 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
POLB P06746 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
SCHEMBL6195857 0.92 TSHR (0.46) GAATSHRBLMPKMMEN1
SCHEMBL6791270 0.88 GAA (0.49) GAATSHRBLMPKMMEN1
SCHEMBL6196412 0.87 ADRA1A (0.42) GAAMEN1KMT2AALDH1A1
SCHEMBL6197708 0.83 ADRA1A (0.38) POLB
SCHEMBL6199413 0.79 PKM (0.52) GAATSHRBLMPKMMEN1
SCHEMBL6198077 0.76 PKM (0.45) GAATSHRBLMPKMMEN1
SCHEMBL6643652 0.76 FFAR2 (0.34) ALDH1A1
SCHEMBL6196437 0.74 POLB (0.35) GAATSHRMEN1KMT2AKDM4E
SCHEMBL6788796 0.73 HTT (0.53) GAATSHRBLMPKMMEN1
SCHEMBL6195197 0.73 ALDH1A1 (0.39) GAAMEN1KMT2AALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6228861-B1 BENIGN PROSTATIC HYPERPLASIA; ANTICHOLESTEROL AGENTS; IMPOTENCY; INTRAOCULAR PRESSURE; ANTIARRHYTHMIA AGENTS SYNAPTIC PHARMACEUTICAL CORPORATION 2001-05-08 US disclosed
EP-0866708-A4 DIHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMA CORP (US) 1999-05-06 EP disclosed
EP-0866708-A1 DIHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1998-09-30 EP disclosed
WO-1997017969-A1 DIHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1997-05-22 WO disclosed