SCHEMBL899430

SCHEMBL899430

Brc1ccc2ccccc2c1Br.O=[N+]([O-])c1cccc2ccccc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.71
TDP1 Q9NUW8 2/20 0.53
HPRT1 P00492 1/20 0.49
TSHR P16473 3/20 0.46
CTSB P07858 2/20 0.44
KDM4E B2RXH2 3/20 0.42
MEN1 O00255 3/20 0.42
MAPT P10636 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPK1 P28482 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
ALOX15 P16050 1/20 0.42
NOS1 P29475 1/20 0.42
CYP2C19 P33261 1/20 0.42
NOS2 P35228 1/20 0.42
BLM P54132 1/20 0.42
POLB P06746 2/20 0.41
CASP6 P55212 1/20 0.41

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
SCHEMBL57184 0.84 ALDH1A1 (1.00) ALDH1A1TDP1HPRT1TSHRCTSB
SCHEMBL27780773 0.84 ALDH1A1 (1.00) ALDH1A1TDP1HPRT1TSHRCTSB
SCHEMBL29378762 0.84 ALDH1A1 (1.00) ALDH1A1TDP1HPRT1TSHRCTSB
Methane SCHEMBL28324670 0.82 ALDH1A1 (0.96) ALDH1A1TDP1HPRT1TSHRCTSB
SCHEMBL28192836 0.82 ALDH1A1 (0.96) ALDH1A1TDP1HPRT1TSHRCTSB
Ammonia Solution, Strong SCHEMBL8944844 0.82 ALDH1A1 (0.96) ALDH1A1TDP1HPRT1TSHRCTSB
Water SCHEMBL27605675 0.82 ALDH1A1 (0.96) ALDH1A1TDP1HPRT1TSHRCTSB
SCHEMBL28158963 0.82 ALDH1A1 (0.96) ALDH1A1TDP1HPRT1TSHRCTSB
SCHEMBL28207718 0.82 ALDH1A1 (0.96) ALDH1A1TDP1HPRT1TSHRCTSB
SCHEMBL28264950 0.82 ALDH1A1 (0.96) ALDH1A1TDP1HPRT1TSHRCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2621614-A1 THIN FILM COMPOSITE MEMBRANES INCORPORATING CARBON NANOTUBES General Electric Company (US) 2013-08-07 EP disclosed
WO-2012047359-A1 THIN FILM COMPOSITE MEMBRANES INCORPORATING CARBON NANOTUBES GENERAL ELECTRIC COMPANY (US) 2012-04-12 WO disclosed
US-20120080381-A1 THIN FILM COMPOSITE MEMBRANES INCORPORATING CARBON NANOTUBES GENERAL ELECTRIC COMPANY (US) 2012-04-05 US disclosed