SCHEMBL11344684

SCHEMBL11344684

O=C(O)c1[nH]nnc1Nc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.46
HAO1 Q9UJM8 2/20 0.41
BRD4 O60885 1/20 0.40
EP300 Q09472 1/20 0.40
CREBBP Q92793 1/20 0.40
MAPT P10636 3/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
CSNK2A1 P68400 2/20 0.39
EGFR P00533 1/20 0.39
KDR P35968 1/20 0.39
NPC1 O15118 1/20 0.39
ALOX15 P16050 1/20 0.39
CDK2 P24941 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL11340745 0.85 EP300 (0.42) DHODHHAO1EP300CREBBPMAPT
SCHEMBL11334107 0.85 MEN1 (0.49) DHODHHAO1MEN1KMT2ACSNK2A1
SCHEMBL22608327 0.82 MEN1 (0.46) DHODHHAO1BRD4CREBBPMEN1
SCHEMBL11333461 0.79 SMN1; SMN2 (0.53) DHODHMAPTMEN1ALDH1A1GAA
SCHEMBL22608750 0.79 CSNK2A1 (0.41) DHODHHAO1MAPTMEN1KMT2A
SCHEMBL22608312 0.79 CSNK2A1 (0.45) HAO1MEN1GAAKMT2ACSNK2A1
SCHEMBL22608548 0.79 KMO (0.47) MAPTMEN1KMT2ALMNAKDR
SCHEMBL22608538 0.78 DHODH (0.55) DHODHHAO1MAPTMEN1KMT2A
SCHEMBL22608238 0.78 KIF11 (0.44) DHODHBRD4CREBBPMEN1KMT2A
SCHEMBL22608153 0.77 KMO (0.43) KDR

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-0002562-B1 TRIAZOLO-QUINOLINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR PHARMACEUTICAL USE BEECHAM GROUP PLC (GB) 1981-05-20 EP disclosed
US-4223032-A BRONCHODILATOR AGENTS BEECHAM GROUP LIMITED (GB) 1980-09-16 US disclosed
EP-0002562-A1 Triazolo-quinoline derivatives, processes for their preparation and their pharmaceutical use BEECHAM GROUP PLC (GB) 1979-06-27 EP disclosed