SCHEMBL16864397

SCHEMBL16864397

C=C1c2ccccc2C(c2ccc(Cl)cc2)N1c1ccc2[nH]cnc2c1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 17/20 0.48
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
ALDH1A1 P00352 1/20 0.34
RAB9A P51151 1/20 0.34
HSD17B10 Q99714 1/20 0.34
QPCTL Q9NXS2 1/20 0.34
TP53 P04637 1/20 0.32
MDM2 Q00987 1/20 0.32

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
SCHEMBL16864409 0.90 QPCT (0.46) QPCTTP53
SCHEMBL1444476 0.87 QPCT (0.60) QPCTALDH1A1RAB9AHSD17B10QPCTL
SCHEMBL1444692 0.87 QPCT (0.60) QPCTALDH1A1RAB9AHSD17B10QPCTL
SCHEMBL1444480 0.87 QPCT (0.60) QPCTALDH1A1RAB9AHSD17B10QPCTL
SCHEMBL29410482 0.87 QPCT (0.60) QPCTALDH1A1RAB9AHSD17B10QPCTL
SCHEMBL16864406 0.85 QPCT (0.43) QPCTQPCTL
SCHEMBL12819597 0.83 QPCT (0.68) QPCTALDH1A1RAB9AHSD17B10TP53
SCHEMBL12819253 0.83 QPCT (0.68) QPCTALDH1A1RAB9AHSD17B10TP53
SCHEMBL12814445 0.81 QPCT (0.57) QPCTTP53
SCHEMBL1443993 0.78 QPCT (0.62) QPCTQPCTL

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-2475428-B1 HETEROCYLCIC DERIVATIVES AS INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2015-07-01 EP disclosed