SCHEMBL9819780

SCHEMBL9819780

[CH]1[CH]c2cc3ccccc3cc2C1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NQO2 P16083 1/20 0.31
CYP2A6 P11509 5/20 0.30
ALOX12 P18054 1/20 0.30
CYP1A2 P05177 2/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL290039 0.78 MEN1 (0.38) MEN1KMT2ACYP2A6CYP1A2ALDH1A1
SCHEMBL5918689 0.75 MEN1 (0.35) MEN1KMT2ACYP2A6ALDH1A1CYP3A4
SCHEMBL395756 0.73 MEN1 (0.40) MEN1KMT2ANQO2CYP2A6ALOX12
SCHEMBL30390125 0.71 MEN1 (0.39) MEN1KMT2ANQO2CA1CA2
Indene SCHEMBL1162574 0.70
SCHEMBL5475167 0.70 MEN1 (0.38) MEN1KMT2AALDH1A1CYP3A4HSD17B10
SCHEMBL14062348 0.68 MEN1 (0.36) MEN1KMT2A
SCHEMBL308186 0.67 MEN1 (0.48) MEN1KMT2ANQO2CYP2A6ALOX12
SCHEMBL30003181 0.67 MEN1 (0.48) MEN1KMT2ANQO2CYP2A6ALOX12
SCHEMBL7914941 0.66 MEN1 (0.52) MEN1KMT2ANQO2CYP2A6ALOX12

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4987132-A PLATELET ACTIVATING FACTOR ANTAGONISTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1991-01-22 US disclosed
EP-0279681-A2 Saturated heterocyclic carboxamide derivatives YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1988-08-24 EP disclosed