SCHEMBL27786273

SCHEMBL27786273

O=c1ccn(-n2ccnc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.39
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
ENPP2 Q13822 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
NOTUM Q6P988 1/20 0.36
IDO1 P14902 1/20 0.36
CYP2A6 P11509 1/20 0.35
BAZ2B Q9UIF8 1/20 0.35
MEN1 O00255 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
ADH5 P11766 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33

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
SCHEMBL1412677 0.77 NFKB1 (0.47) CYP3A4LMNAMAPTENPP2MKNK1
SCHEMBL27961586 0.74 NFKB1 (0.45) CYP3A4LMNAMAPTENPP2MKNK1
Ammonia Solution, Strong SCHEMBL27340998 0.74 NFKB1 (0.45) CYP3A4LMNAMAPTENPP2MKNK1
SCHEMBL9464877 0.72 CYP3A4 (0.41) CYP3A4LMNAMAPTENPP2MKNK1
Bicarbonate SCHEMBL30411279 0.70 ALDH1A1 (0.48) CYP3A4BAZ2BADH5
Biphenyl SCHEMBL27843447 0.70 MEN1 (0.59) CYP3A4LMNAMAPTNOTUMIDO1
SCHEMBL27968862 0.68 BCHE (0.35) CYP3A4LMNAMAPTENPP2MKNK1
SCHEMBL6391242 0.67 POLB (0.59) CYP3A4MEN1ALOX15TSHRKMT2A
SCHEMBL28283834 0.67 CYP11B1 (0.38) CYP3A4LMNAMAPTENPP2MKNK1
Pyridine SCHEMBL28070451 0.65 TSHR (0.43) CYP3A4MAPTCYP2A6MEN1ALOX15

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
CN-101600715-A Compound with angiotensin-ii receptor antagonistic action and PPAR γ activating activities PFIZER PROD INC (US) 2009-12-09 CN disclosed