SCHEMBL9016407

SCHEMBL9016407

Cc1nc2c(nc(C3CC3)n2-c2ccc(-c3ccccc3)c(C#N)c2)c(C)c1Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
HPGD P15428 5/20 0.38
MAPK1 P28482 2/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
XDH P47989 1/20 0.36
NPSR1 Q6W5P4 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
KDM4E B2RXH2 4/20 0.34
HSD17B10 Q99714 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
GRM5 P41594 1/20 0.33
GLA P06280 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
SCHEMBL8873723 0.88 ESR2 (0.34) LMNACYP1A2CYP2C19PPARGUSP30
SCHEMBL9016476 0.79 ESR2 (0.36) LMNANPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL8872862 0.74 AGTR1 (0.47) PPARGAGTR1AGTR2DPP4
SCHEMBL8958457 0.73 AGTR1 (0.45) ALDH1A1HPGDMAPK1KDM4EHSD17B10
SCHEMBL8872253 0.73 AGTR1 (0.43) ALDH1A1HPGDMAPK1LMNACYP1A2
SCHEMBL9016501 0.73 AGTR1 (0.37) LMNACYP1A2CYP2C19AGTR1AGTR2
SCHEMBL9016540 0.71 PPARG (0.39) XDHNPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL9016542 0.69 PPARG (0.46) SMN1; SMN2HSD17B10MEN1TSHRKMT2A
SCHEMBL9016396 0.67 APLNR (0.42) MAPK1LMNAPPARGAGTR1AGTR2
SCHEMBL8872592 0.65 AGTR1 (0.50) PPARGAGTR1AGTR2DPP4

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-5554757-A Process for the preparation of imidazopyridine derivatives, and intermediates therefore EISAI CO., LTD. (JP) 1996-09-10 US disclosed