SCHEMBL11267017

SCHEMBL11267017

Cc1nc2ccccn2c1C(=O)c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.69
MAPK1 P28482 1/20 0.65
ALDH1A1 P00352 4/20 0.63
KDM4E B2RXH2 2/20 0.62
GAA P10253 1/20 0.62
NPSR1 Q6W5P4 1/20 0.59
HSD17B10 Q99714 1/20 0.59
HTT P42858 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
RXFP1 Q9HBX9 1/20 0.58
LMNA P02545 1/20 0.56
GLA P06280 1/20 0.56
NPC1 O15118 1/20 0.56
TP53 P04637 1/20 0.56
RAB9A P51151 1/20 0.56
MEN1 O00255 1/20 0.55

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
SCHEMBL954146 0.85 KMT2A (0.76) KMT2AMAPK1ALDH1A1KDM4EGAA
SCHEMBL196599 0.82 KMT2A (1.00) KMT2AMAPK1ALDH1A1KDM4EGAA
SCHEMBL8315301 0.82 KMT2A (1.00) KMT2AMAPK1ALDH1A1KDM4EGAA
SCHEMBL954303 0.81 KMT2A (0.73) KMT2AMAPK1ALDH1A1KDM4EGAA
SCHEMBL2937795 0.81 KMT2A (0.73) KMT2AMAPK1ALDH1A1KDM4EGAA
SCHEMBL11253412 0.80 CYP1A2 (0.65) KMT2AALDH1A1KDM4EHSD17B10SMN1; SMN2
SCHEMBL18766608 0.80 EPHB3 (0.58) KMT2AMAPK1ALDH1A1KDM4EGAA
SCHEMBL2829842 0.79 MAPK1 (1.00) KMT2AMAPK1ALDH1A1KDM4EGAA
SCHEMBL24655998 0.78 MAPK1 (0.74) KMT2AMAPK1ALDH1A1KDM4EGAA
SCHEMBL19675464 0.78 KMT2A (0.69) KMT2AMAPK1ALDH1A1KDM4EGAA

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-4352804-A ANTIULCER AGENTS, GASTROINTESTINAL DISORDERS ACF CHEMIEFARMA NV (NL) 1982-10-05 US disclosed