SCHEMBL10690108

SCHEMBL10690108

O=C1c2cccc3cccc(c23)C(=O)N1CC=CCn1ccnc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
UBE2N P61088 1/20 0.47
ATM Q13315 1/20 0.47
CYP1B1 Q16678 2/20 0.47
HEXA P06865 3/20 0.44
HEXB P07686 3/20 0.44
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
MAPT P10636 1/20 0.43
AKR1B1 P15121 1/20 0.43
ALOX15 P16050 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
OGA O60502 1/20 0.43

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
SCHEMBL10690102 1.00 KDM4E (0.47) KDM4EUBE2NATMCYP1B1HEXA
SCHEMBL27565923 0.88 TBXAS1 (0.45) NPSR1
SCHEMBL10857713 0.88 TBXAS1 (0.45) NPSR1
SCHEMBL13207604 0.83 CYP1B1 (0.51) KDM4EUBE2NATMCYP1B1HEXA
SCHEMBL10688300 0.80 HEXA (0.59) HEXAHEXBMEN1ALOX15KMT2A
SCHEMBL10690041 0.80 HEXA (0.57) HEXAHEXBNPSR1MEN1ALOX15
SCHEMBL10685366 0.79 HEXA (0.58) HEXAHEXBALDH1A1MEN1KMT2A
SCHEMBL10690695 0.79 HEXA (0.58) HEXAHEXBALDH1A1MEN1KMT2A
SCHEMBL15485550 0.74 CYP1B1 (0.57) KDM4ECYP1B1HEXAHEXBALDH1A1
SCHEMBL11801136 0.74 HEXA (0.58) KDM4ECYP1B1HEXAHEXBALDH1A1

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-4782064-A THROMBOXANE SYNTHETASE INHIBITORS AMERICAN CYANAMID CO. (US) 1988-11-01 US disclosed