SCHEMBL9433504

SCHEMBL9433504

Cc1ccc(C=CC(=O)Cc2cccnc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.56
THRB P10828 1/20 0.50
NAPRT Q6XQN6 1/20 0.50
POLB P06746 1/20 0.49
KMT2A Q03164 2/20 0.49
RAB9A P51151 2/20 0.49
KDM4E B2RXH2 3/20 0.48
MAPT P10636 2/20 0.46
HTT P42858 1/20 0.46
IDO1 P14902 1/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
MAPK1 P28482 2/20 0.45
NPC1 O15118 1/20 0.45
JUN P05412 1/20 0.45
NFKB1 P19838 1/20 0.45
GPR55 Q9Y2T6 1/20 0.45
GPR183 P32249 1/20 0.45

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
SCHEMBL9433826 0.87 TBXAS1 (0.57) TBXAS1THRBNAPRTPOLBKMT2A
SCHEMBL9433920 0.87 TBXAS1 (0.56) TBXAS1THRBNAPRTPOLBKMT2A
SCHEMBL9433523 0.86 TBXAS1 (0.56) TBXAS1THRBNAPRTPOLBKMT2A
SCHEMBL9434018 0.86 TBXAS1 (0.56) TBXAS1THRBNAPRTPOLBKMT2A
SCHEMBL9434440 0.85 LMNA (0.47) TBXAS1THRBNAPRTPOLBKMT2A
SCHEMBL9434294 0.83 MAPT (0.63) TBXAS1THRBNAPRTPOLBRAB9A
SCHEMBL9433343 0.83 TBXAS1 (0.52) TBXAS1THRBNAPRTPOLBKMT2A
SCHEMBL9433645 0.82 MAPT (0.69) TBXAS1POLBRAB9AMAPTHTT
SCHEMBL9434179 0.80 GSK3B (0.68) TBXAS1THRBKMT2ARAB9AKDM4E
SCHEMBL9434498 0.80 NAPRT (0.49) TBXAS1NAPRTKMT2AMAPTHTT

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-5276150-A Vasodilators, anticoagulants, calcium channel blockers FUJIREBIO INC. (JP) 1994-01-04 US disclosed
EP-0400660-A1 1,4-dihydropyridine derivatives FUJIREBIO INC. (JP) 1990-12-05 EP disclosed