SCHEMBL16634719

SCHEMBL16634719

CC1(COc2ccc3c(c2)[nH]c(=O)n3-c2ccc(C(=O)O)cc2F)COC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.37
CACNA1H O95180 5/20 0.36
CACNA1G O43497 1/20 0.36
CACNA1I Q9P0X4 1/20 0.36
FGFR1 P11362 1/20 0.35
FGFR2 P21802 1/20 0.35
FGFR3 P22607 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 2/20 0.34
B3GNT2 Q9NY97 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
THRB P10828 1/20 0.33
TSHR P16473 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SSTR5 P35346 1/20 0.33
HRH3 Q9Y5N1 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
SCHEMBL16634807 0.89 CACNA1H (0.34) CACNA1HCACNA1GCACNA1IFGFR1FGFR2
SCHEMBL16634808 0.83 FGFR1 (0.35) CACNA1HCACNA1GCACNA1IFGFR1FGFR2
SCHEMBL16634654 0.72 GAA (0.44) CACNA1HCACNA1GCACNA1ISMN1; SMN2KDM4E
SCHEMBL16634645 0.72 RORC (0.45)
SCHEMBL16634626 0.71 HSP90AA1 (0.54) AURKASMN1; SMN2KDM4EB3GNT2
SCHEMBL5095969 0.71 ACACB (0.50) SMN1; SMN2NPC1POLBTSHRHSD17B10
SCHEMBL16634859 0.70 AURKA (0.44) AURKASMN1; SMN2KDM4EMEN1TSHR
SCHEMBL16634547 0.70 MAPT (0.48) SMN1; SMN2MEN1POLBKMT2AALDH1A1
SCHEMBL16634544 0.70 MAPT (0.48) SMN1; SMN2MEN1POLBKMT2AALDH1A1
SCHEMBL16634651 0.68 CREBBP (0.42) AURKASMN1; SMN2KDM4EMEN1KMT2A

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
WO-2015052675-A1 SUBSTITUTED DIHYDRO-BENZIMIDAZOLE COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2015-04-16 WO disclosed