SCHEMBL9779267

SCHEMBL9779267

Cc1cc(-c2cccc(C#N)c2)c(C(=O)NCCN2CCOCC2)c(C)n1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 2/20 0.52
HPGDS O60760 1/20 0.49
ALDH1A1 P00352 3/20 0.49
USP2 O75604 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CLK4 Q9HAZ1 2/20 0.49
CYP2C19 P33261 2/20 0.49
LRRK2 Q5S007 1/20 0.49
CYP2D6 P10635 1/20 0.49
MAPK1 P28482 1/20 0.49
TSHR P16473 1/20 0.48
CYP2C9 P11712 1/20 0.47
SCN9A Q15858 1/20 0.47
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46
EGLN2 Q96KS0 1/20 0.46
HPGD P15428 1/20 0.46
POLB P06746 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
SCHEMBL9779369 0.91 ALDH1A1 (0.51) CD274HPGDSALDH1A1USP2CYP1A2
SCHEMBL9779476 0.88 CD274 (0.48) CD274ALDH1A1USP2CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL9779394 0.86 ALDH1A1 (0.51) CD274ALDH1A1USP2CYP1A2CYP3A4
SCHEMBL9779277 0.84 SCN9A (0.48) CD274ALDH1A1USP2CYP1A2CYP3A4
SCHEMBL23956927 0.81 CD274 (0.52) CD274ALDH1A1USP2CYP1A2CYP3A4
Fumaric Acid SCHEMBL9779268 0.80 SCN9A (0.45) CD274ALDH1A1USP2CYP1A2CYP3A4
Fumaric Acid SCHEMBL9779264 0.80 SCN9A (0.45) CD274ALDH1A1USP2CYP1A2CYP3A4
SCHEMBL9779336 0.79 HPGD (0.59) CD274HPGDSALDH1A1CYP1A2CYP2C19
SCHEMBL9779368 0.79 HPGD (0.54) CD274HPGDSALDH1A1USP2LMNA
Hydrochloric Acid SCHEMBL9779451 0.77 HPGD (0.50) CD274HPGDSALDH1A1TSHRLMNA

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
US-5037824-A Cardiotonic, antiischemic agents FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1991-08-06 US disclosed