SCHEMBL5234948

SCHEMBL5234948

N/N=C(/Cc1ccnc2ccccc12)c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.46
CYP1A2 P05177 1/20 0.46
NCF1 P14598 1/20 0.41
RAB9A P51151 3/20 0.39
MAPT P10636 3/20 0.39
RECQL P46063 1/20 0.39
GRM4 Q14833 1/20 0.39
FERMT2 Q96AC1 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
HIF1A Q16665 1/20 0.37
MEN1 O00255 2/20 0.36
MAPK1 P28482 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
HDAC3 O15379 1/20 0.35

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
SCHEMBL5234952 1.00 LOXL2 (0.46) LOXL2CYP1A2NCF1RAB9AMAPT
SCHEMBL5238056 0.89 CYP1A2 (0.54) LOXL2CYP1A2NCF1RAB9AMAPT
SCHEMBL5238727 0.89 CYP1A2 (0.54) LOXL2CYP1A2NCF1RAB9AMAPT
SCHEMBL5238458 0.86 LOXL2 (0.46) LOXL2CYP1A2NCF1RAB9AMAPT
SCHEMBL5238455 0.86 LOXL2 (0.46) LOXL2CYP1A2NCF1RAB9AMAPT
SCHEMBL5235015 0.86 LOXL2 (0.43) LOXL2CYP1A2NCF1FERMT2HDAC3
SCHEMBL5237802 0.86 CYP1A2 (0.44) LOXL2CYP1A2NCF1RAB9AGRM4
SCHEMBL5237502 0.86 LOXL2 (0.43) LOXL2CYP1A2NCF1FERMT2HDAC3
SCHEMBL5232556 0.81 LOXL2 (0.46) LOXL2CYP1A2NCF1GRM4FERMT2
SCHEMBL5232563 0.81 LOXL2 (0.46) LOXL2CYP1A2NCF1GRM4FERMT2

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
EP-1397364-B1 NOVEL PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS LILLY CO ELI (US) 2007-07-25 EP disclosed