SCHEMBL19292565

SCHEMBL19292565

C=Nc1cc(-c2ccc3nc[nH]c3c2)ccc1NC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.45
▸ CREBBP Q92793 1/20 0.45
▸ QPCT Q16769 8/20 0.45
▸ QPCTL Q9NXS2 5/20 0.45
▸ PRKCI P41743 2/20 0.41
▸ ALOX5AP P20292 1/20 0.41
▸ FEN1 P39748 1/20 0.41
▸ MMP12 P39900 1/20 0.40
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ MAPT P10636 2/20 0.39
▸ PKM P14618 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ RAD52 P43351 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ HPGD P15428 1/20 0.39

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
SCHEMBL5703629 0.79 KIF11 (0.32) NPC1RAB9AMAPT
SCHEMBL8634290 0.75 QPCT (0.68) BRD4CREBBPQPCTQPCTLPRKCI
SCHEMBL2474515 0.69 QPCT (0.60) BRD4CREBBPQPCTQPCTLPRKCI
SCHEMBL20860304 0.68 KDM4E (0.58) BRD4CREBBPQPCTQPCTLPRKCI
SCHEMBL5063947 0.68 ADRA2A (0.58) QPCTPRKCIMMP12KDM4EMAPT
SCHEMBL2462345 0.68 QPCT (0.68) BRD4CREBBPQPCTQPCTLPRKCI
SCHEMBL25867807 0.67 KMO (0.33) —
SCHEMBL7021141 0.66 QPCT (0.66) BRD4CREBBPQPCTQPCTLPRKCI
SCHEMBL38665709 0.66 QPCT (0.66) BRD4CREBBPQPCTQPCTLPRKCI
SCHEMBL28178022 0.66 QPCT (0.61) BRD4CREBBPQPCTQPCTLPRKCI

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-1719200-B1 HIGH-PERFORMANCE MEMBRANE ELECTRODE UNIT AND THE USE THEREOF IN FUEL CELLS BASF FUEL CELL RES GMBH (DE) 2017-08-30 — — EP disclosed
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