SCHEMBL29434877

SCHEMBL29434877

FC(F)(F)c1cccc(Br)c1Cl

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 6/20 0.53
ENPP3 O14638 1/20 0.43
ENPP1 P22413 1/20 0.43
NOTUM Q6P988 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.39
HSD11B1 P28845 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA5A P35218 1/20 0.38
CA9 Q16790 1/20 0.38
CTSS P25774 3/20 0.37
CTSK P43235 2/20 0.36
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
EPAS1 Q99814 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35

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
SCHEMBL1410137 1.00 P2RX7 (0.53) P2RX7ENPP3ENPP1NOTUMSMN1; SMN2
SCHEMBL1043059 0.83 P2RX7 (0.57) P2RX7NOTUMSMN1; SMN2CA2CTSS
SCHEMBL10780671 0.81 P2RX7 (0.34) P2RX7ENPP3ENPP1HSD11B1CA1
SCHEMBL11553855 0.79 TSHR (0.33) P2RX7ENPP3ENPP1CA1CA2
SCHEMBL22989560 0.79 P2RX7 (0.55) P2RX7NOTUMSMN1; SMN2CTSSCTSK
Methane SCHEMBL28189445 0.77 P2RX7 (0.53) P2RX7NOTUMSMN1; SMN2CTSSCTSK
SCHEMBL31226293 0.77 CA2 (0.44) P2RX7ENPP3ENPP1CA1CA2
SCHEMBL29764291 0.76 P2RX7 (0.52) P2RX7NOTUMSMN1; SMN2HSD11B1CTSS
SCHEMBL7191759 0.76 TAS2R14 (0.42) P2RX7ENPP3ENPP1SMN1; SMN2HSD11B1
SCHEMBL312929 0.76 P2RX7 (0.52) P2RX7NOTUMSMN1; SMN2HSD11B1CTSS

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
CN-118119600-A SOS1 inhibitors and uses thereof 治纳辅医药科技有限公司 2024-05-31 CN disclosed
CN-114174266-A Arylsulfonamide derivatives as MGLUR4 negative allosteric modulators 豪夫迈·罗氏有限公司 2022-03-11 CN disclosed