SCHEMBL476707

SCHEMBL476707

O=c1[nH]c2ccccc2c(F)c1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.53
ALDH1A1 P00352 5/20 0.53
PARP1 P09874 5/20 0.53
LMNA P02545 3/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
GPR3 P46089 2/20 0.53
HSD17B10 Q99714 2/20 0.53
TNKS O95271 1/20 0.53
CYP1A2 P05177 1/20 0.53
BLM P54132 1/20 0.53
PMP22 Q01453 1/20 0.53
PARP15 Q460N3 1/20 0.53
TNKS2 Q9H2K2 1/20 0.53
MAPT P10636 2/20 0.48
IDE P14735 1/20 0.48
MPI P34949 1/20 0.48
CACNA1B Q00975 1/20 0.48
APBA1 Q02410 1/20 0.48
CA12 O43570 1/20 0.47

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
SCHEMBL29096075 0.85 KDM4E (0.53) KDM4EALDH1A1PARP1LMNAMEN1
SCHEMBL30804387 0.82 KDM4E (0.59) KDM4EALDH1A1PARP1LMNAMEN1
SCHEMBL1268537 0.82 KDM4E (0.59) KDM4EALDH1A1PARP1LMNAMEN1
SCHEMBL5528637 0.82 KDM4E (0.59) KDM4EALDH1A1PARP1LMNAMEN1
SCHEMBL31175987 0.77 KDM4E (0.53) KDM4EALDH1A1PARP1LMNAMEN1
SCHEMBL28784055 0.77 DAO (0.62) KDM4EALDH1A1PARP1LMNAMEN1
SCHEMBL17942038 0.77 KDM4E (0.69) KDM4EALDH1A1PARP1LMNAMEN1
SCHEMBL27804429 0.76 PADI4 (0.48) KDM4EALDH1A1PARP1LMNAMEN1
SCHEMBL26693286 0.75 ALDH1A1 (0.50) KDM4EALDH1A1PARP1LMNAMEN1
SCHEMBL741833 0.74 POLB (0.53) KDM4EALDH1A1PARP1LMNAMEN1

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
US-8604020-B2 Fluoroquinolone carboxylic acid molecular crystals BAUSCH & LOMB INCORPORATED (US) 2013-12-10 US disclosed
US-20130252946-A1 Fluoroquinolone Carboxylic Acid Molecular Crystals BAUSCH & LOMB INCORPORATED (US) 2013-09-26 US disclosed
US-8481526-B2 Fluoroquinolone carboxylic acid molecular crystals BAUSCH & LOMB INCORPORATED (US) 2013-07-09 US disclosed
EP-2411369-A1 FLUOROQUINOLONE CARBOXYLIC ACID MOLECULAR CRYSTALS Bausch & Lomb Incorporated (US) 2012-02-01 EP disclosed
US-20100311731-A1 Fluoroquinolone Carboxylic Acid Molecular Crystals SALIX PHARMACEUTICALS, INC. 2010-12-09 US disclosed
WO-2010111116-A1 FLUOROQUINOLONE CARBOXYLIC ACID MOLECULAR CRYSTALS BAUSCH & LOMB INCORPORATED (US) 2010-09-30 WO disclosed