SCHEMBL9796089

SCHEMBL9796089

COc1ccc(-c2cccc(N3CC(=O)NC(=O)N3)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.45
HDAC4 P56524 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
MAPT P10636 2/20 0.43
ABL1 P00519 1/20 0.42
ABCB1 P08183 1/20 0.42
BCR P11274 1/20 0.42
USP2 O75604 4/20 0.41
ALDH1A1 P00352 4/20 0.41
CYP1A2 P05177 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPK1 P28482 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TSHR P16473 1/20 0.41
CYP3A4 P08684 3/20 0.40
HPGD P15428 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
RAB9A P51151 2/20 0.40

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
SCHEMBL9795597 0.87 ALOX5 (0.58) ALOX5MAPTCYP1A2SMN1; SMN2HSD17B10
SCHEMBL9795700 0.81 ALOX5 (0.53) ALOX5MAPTALDH1A1HPGDMEN1
SCHEMBL9795641 0.76 ALOX5 (0.60) ALOX5MAPTHSD17B10
SCHEMBL9795572 0.75 ALOX5 (0.42) ALOX5MAPTSMN1; SMN2HSD17B10MEN1
SCHEMBL9795565 0.75 MAPT (0.43) ALOX5MAPTSMN1; SMN2HSD17B10MEN1
SCHEMBL9796084 0.75 CTSG (0.45) ALOX5MAPT
SCHEMBL9795591 0.75 ALOX5 (0.59) ALOX5
SCHEMBL9795595 0.74 ALOX5 (0.59) ALOX5MAPTALDH1A1CYP1A2CYP3A4
SCHEMBL9795515 0.73 ALOX5 (0.47) ALOX5
SCHEMBL9795631 0.73 FAAH (0.44) ALOX5

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-5023255-A Triazine derivatives; inhibitors exzyme 5-lipoxygenase GLAXO GROUP LIMITED (GB) 1991-06-11 US disclosed
EP-0388165-A2 Chemical compounds GLAXO GROUP LIMITED (GB) 1990-09-19 EP disclosed