SCHEMBL10852247

SCHEMBL10852247

O=C(O)c1ccc(NCCn2ccnc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 9/20 0.62
MEN1 O00255 1/20 0.59
LMNA P02545 1/20 0.59
KMT2A Q03164 1/20 0.59
POLB P06746 1/20 0.52
NPC1 O15118 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
EGLN3 Q9H6Z9 1/20 0.49
QPCT Q16769 1/20 0.48
KDM4E B2RXH2 1/20 0.48
HTT P42858 1/20 0.48

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
Hydrochloric Acid SCHEMBL10852436 0.99 TBXAS1 (0.63) TBXAS1MEN1LMNAKMT2APOLB
SCHEMBL18457438 0.83 QPCT (0.56) TBXAS1POLBNPC1QPCT
Hydrochloric Acid SCHEMBL10851015 0.80 ALDH1A1 (0.65) TBXAS1MEN1KMT2APOLBNPC1
Hydrochloric Acid SCHEMBL10857301 0.77 TBXAS1 (0.43) TBXAS1MEN1LMNAKMT2APOLB
SCHEMBL15854270 0.77 ALDH1A1 (0.67) TBXAS1MEN1LMNAKMT2A
SCHEMBL5350770 0.77 TBXAS1 (1.00) TBXAS1MEN1LMNAKMT2A
Hydrochloric Acid SCHEMBL17219474 0.76 ALDH1A1 (0.65) TBXAS1MEN1LMNAKMT2APOLB
Hydrochloric Acid SCHEMBL17219469 0.76 ALDH1A1 (0.65) TBXAS1MEN1LMNAKMT2APOLB
Hydrochloric Acid SCHEMBL11474904 0.75 TBXAS1 (1.00) TBXAS1MEN1LMNAKMT2A
Dazoxiben SCHEMBL11554 0.75 TBXAS1 (1.00) TBXAS1MEN1LMNAKMT2AKDM4E

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-4632934-A THROMBOXANE SYNTHETASE INHIBITORS KISSEI PHARMACEUTICAL CO., LTD. (JP) 1986-12-30 US disclosed