SCHEMBL14355115

SCHEMBL14355115

C=Cc1ccc(-c2ccncc2)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 6/20 0.45
CYP11B2 P19099 5/20 0.45
GRM5 P41594 1/20 0.38
IDO1 P14902 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
DYRK1A Q13627 1/20 0.36
NPC1 O15118 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
AR P10275 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAB9A P51151 1/20 0.35
WNT3A P56704 1/20 0.35
FYN P06241 3/20 0.34
MAPK1 P28482 1/20 0.34
CDC7 O00311 1/20 0.34

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
SCHEMBL10160338 0.82 POLB (0.48) CYP11B1CYP11B2ALDH1A1CYP3A4POLB
SCHEMBL17366415 0.81 ALDH1A1 (0.50) ALDH1A1MAPTPOLB
SCHEMBL29574715 0.81 ALDH1A1 (0.50) ALDH1A1MAPTPOLB
SCHEMBL5144124 0.81 CYP11B1 (0.52) CYP11B1CYP11B2GRM5IDO1ALDH1A1
SCHEMBL23110060 0.79 KMT2A (0.50) CYP11B1CYP11B2ALDH1A1LMNAMAPT
SCHEMBL13536764 0.79 CYP11B1 (0.51) CYP11B1ALDH1A1MAPTNPC1RAB9A
SCHEMBL13221922 0.75 KIF11 (0.39) ALDH1A1LMNAMAPTNPC1CYP1A2
SCHEMBL550506 0.74 MAPT (0.55) CYP11B1CYP11B2ALDH1A1LMNAMAPT
SCHEMBL16290260 0.74 MAPT (0.55) CYP11B1CYP11B2ALDH1A1LMNAMAPT
SCHEMBL20357269 0.74 CYP11B1 (0.48) CYP11B1CYP11B2GRM5IDO1LMNA

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-7301029-B2 Bipyridine Derivatives FUJIFILM FINECHEMICALS CO., LTD. (JP) 2007-11-27 US disclosed
US-7301029-B2 Bipyridine Derivatives FUJIFILM FINECHEMICALS CO., LTD. (JP) 2007-11-27 US disclosed