SCHEMBL29534992

SCHEMBL29534992

CC(O)(c1ccc(C(=O)O)cn1)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HA1 P13674 2/20 0.47
P4HTM Q9NXG6 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
MIF P14174 1/20 0.46
HCAR3 P49019 6/20 0.45
MLYCD O95822 2/20 0.45
GABRP O00591 1/20 0.44
GABRD O14764 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRA2 P47869 1/20 0.44
GABRB2 P47870 1/20 0.44
GABRA4 P48169 1/20 0.44
GABRE P78334 1/20 0.44
GABRA6 Q16445 1/20 0.44
GABRG1 Q8N1C3 1/20 0.44

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
SCHEMBL29534680 0.85 NNMT (0.47) L3MBTL1MLYCDGABRA5HSD11B1
SCHEMBL30521254 0.84 P4HA1 (0.52) P4HA1P4HTML3MBTL1MIFHCAR3
SCHEMBL25804618 0.84 P4HA1 (0.52) P4HA1P4HTML3MBTL1MIFHCAR3
SCHEMBL15718539 0.84 P4HA1 (0.52) P4HA1P4HTML3MBTL1MIFHCAR3
SCHEMBL14822487 0.82 P4HA1 (0.53) P4HA1P4HTML3MBTL1MIFHCAR3
SCHEMBL600427 0.81 P4HA1 (0.52) P4HA1P4HTML3MBTL1MIFHCAR3
SCHEMBL19711964 0.81 P4HA1 (0.52) P4HA1P4HTML3MBTL1MIFHCAR3
SCHEMBL1070876 0.80 P4HA1 (0.55) P4HA1P4HTML3MBTL1MIFHCAR3
SCHEMBL29418677 0.80 L3MBTL1 (0.57) P4HA1P4HTML3MBTL1MIFHCAR3
SCHEMBL186213 0.80 L3MBTL1 (0.57) P4HA1P4HTML3MBTL1MIFHCAR3

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-114391012-A Pyridine derivatives as KIF18A inhibitors 美国安进公司 2022-04-22 CN disclosed