SCHEMBL9433802

SCHEMBL9433802

O=C(C=Cc1cc(Cl)cc(Cl)c1)Cc1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TBXAS1 P24557 2/20 0.48
CYP1A2 P05177 3/20 0.46
CYP3A4 P08684 3/20 0.46
CYP1A1 P04798 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP1B1 Q16678 2/20 0.46
MAPT P10636 4/20 0.46
NAMPT P43490 2/20 0.46
FNTA P49354 1/20 0.45
FNTB P49356 1/20 0.45
CYP17A1 P05093 1/20 0.45
CYP21A2 P08686 1/20 0.45
CYP11B1 P15538 1/20 0.45
CYP2C9 P11712 1/20 0.44
IDO1 P14902 1/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPK1 P28482 2/20 0.44

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
SCHEMBL9433920 0.83 TBXAS1 (0.56) NAPRTMEN1KMT2ATBXAS1CYP1A2
SCHEMBL9433826 0.81 TBXAS1 (0.57) NAPRTKMT2ATBXAS1CYP1A2CYP3A4
SCHEMBL9434748 0.80 CYP1A1 (0.62) NAPRTKMT2ATBXAS1CYP1A2CYP1A1
SCHEMBL9433523 0.80 TBXAS1 (0.56) NAPRTMEN1KMT2ATBXAS1CYP1A2
SCHEMBL9434096 0.80 NAPRT (0.50) NAPRTMEN1KMT2ATBXAS1CYP1A2
SCHEMBL9433504 0.80 TBXAS1 (0.56) NAPRTMEN1KMT2ATBXAS1CYP1A2
SCHEMBL9434018 0.80 TBXAS1 (0.56) NAPRTMEN1KMT2ATBXAS1CYP1A2
SCHEMBL9434693 0.79 CYP1A2 (0.56) NAPRTKMT2ATBXAS1CYP1A2CYP3A4
SCHEMBL9433864 0.79 NAPRT (0.47) NAPRTTBXAS1CYP1A2CYP3A4CYP1A1
SCHEMBL9434440 0.79 LMNA (0.47) NAPRTMEN1KMT2ATBXAS1CYP1A2

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