SCHEMBL8336808

SCHEMBL8336808

OCc1cc(-c2ccccn2)nc2cc(Br)ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 6/20 0.46
RXFP1 Q9HBX9 5/20 0.46
LMNA P02545 1/20 0.46
PTPN7 P35236 1/20 0.46
DUSP3 P51452 1/20 0.46
CBFB Q13951 2/20 0.46
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
GAA P10253 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CYP2C9 P11712 2/20 0.42
CYP3A4 P08684 1/20 0.42
PKM P14618 1/20 0.41
METAP1 P53582 1/20 0.41
MAPT P10636 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
CCR1 P32246 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
SCHEMBL7965613 0.85 CYP2C9 (0.55) NPSR1RXFP1CBFBCYP2C9CYP3A4
SCHEMBL8338056 0.84 METAP1 (0.48) NPSR1RXFP1CBFBMEN1KMT2A
SCHEMBL8335283 0.84 NPSR1 (0.51) NPSR1RXFP1LMNAPTPN7DUSP3
SCHEMBL8335864 0.83 CBFB (0.46) NPSR1RXFP1LMNACBFBMEN1
SCHEMBL8334580 0.83 NPC1 (0.47) NPSR1RXFP1LMNACBFBGAA
SCHEMBL8333690 0.83 CBFB (0.46) NPSR1RXFP1LMNACBFBCYP2C9
SCHEMBL8333603 0.83 CCR1 (0.51) NPSR1RXFP1LMNACBFBMEN1
SCHEMBL8336614 0.80 KDM4E (0.54) NPSR1CYP2C9CYP3A4METAP1MAPT
SCHEMBL8337237 0.78 METAP1 (0.52) NPSR1RXFP1LMNAMEN1KMT2A
SCHEMBL22970594 0.74 HTT (0.58) NPSR1RXFP1LMNAPTPN7DUSP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5969150-A FLUORESCENT COMPOUNDS FOR MEDICAL DIAGNOSIS, DRUGS AND LABELS OR FUNGICIDES AND VIRICIDES THE ROCKEFELLER UNIVERSITY (US) 1999-10-19 US disclosed