SCHEMBL9434018

SCHEMBL9434018

O=C(C=Cc1ccc(Br)cc1)Cc1cccnc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 4/20 0.56
NAPRT Q6XQN6 1/20 0.50
POLB P06746 1/20 0.49
THRB P10828 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
MAPT P10636 3/20 0.46
HTT P42858 1/20 0.46
PLAAT3 P53816 1/20 0.46
PLAAT5 Q96KN8 1/20 0.46
PLAAT2 Q9NWW9 1/20 0.46
PLAAT4 Q9UL19 1/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 1/20 0.46
HDAC3 O15379 2/20 0.45
HDAC4 P56524 2/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC7 Q8WUI4 2/20 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) TBXAS1NAPRTPOLBTHRBKMT2A
SCHEMBL9433920 0.87 TBXAS1 (0.56) TBXAS1NAPRTPOLBTHRBMEN1
SCHEMBL9433504 0.86 TBXAS1 (0.56) TBXAS1NAPRTPOLBTHRBMEN1
SCHEMBL9433523 0.86 TBXAS1 (0.56) TBXAS1NAPRTPOLBTHRBMEN1
SCHEMBL9434693 0.85 CYP1A2 (0.56) TBXAS1NAPRTTHRBKMT2AMAPT
SCHEMBL9434294 0.83 MAPT (0.63) TBXAS1NAPRTPOLBTHRBMAPT
SCHEMBL9433343 0.83 TBXAS1 (0.52) TBXAS1NAPRTPOLBTHRBMEN1
SCHEMBL9433645 0.82 MAPT (0.69) TBXAS1POLBMAPTHTTLMNA
SCHEMBL9434179 0.80 GSK3B (0.68) TBXAS1THRBMEN1KMT2AMAPT
SCHEMBL9433802 0.80 NAPRT (0.49) TBXAS1NAPRTPOLBMEN1KMT2A

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