SCHEMBL24181250

SCHEMBL24181250

O=C/C(O)=C\c1ccc(F)c(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ VCP P55072 1/20 0.46
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ MAOB P27338 5/20 0.41
▸ MAOA P21397 4/20 0.41
▸ DPEP1 P16444 1/20 0.38
▸ TRPA1 O75762 2/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ TDO2 P48775 1/20 0.33
▸ PTPN2 P17706 1/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ PTPN6 P29350 1/20 0.33
▸ PTGS2 P35354 1/20 0.32
▸ GABRA1 P14867 1/20 0.32
▸ SIGMAR1 Q99720 1/20 0.32
▸ FAAH O00519 1/20 0.32
▸ F2R P25116 1/20 0.31

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
SCHEMBL21949126 0.79 GABRA1 (0.48) TRPA1PTGS2GABRA1SIGMAR1
SCHEMBL29527566 0.77 VCP (0.55) VCPNPC1RAB9ATDP1MAOB
SCHEMBL154905 0.77 VCP (0.55) VCPNPC1RAB9ATDP1MAOB
SCHEMBL11127611 0.72 VCP (0.50) VCPNPC1RAB9ATDP1MAOB
SCHEMBL7576321 0.72 IDO1 (0.50) VCPNPC1RAB9ATDP1MAOB
SCHEMBL2394174 0.72 DPEP1 (0.49) VCPNPC1RAB9ATDP1MAOB
SCHEMBL1907796 0.72 DPEP1 (0.49) VCPNPC1RAB9ATDP1MAOB
SCHEMBL30667977 0.72 SMN1; SMN2 (0.46) VCPNPC1RAB9ATDP1MAOB
SCHEMBL26684281 0.72 SMN1; SMN2 (0.46) VCPNPC1RAB9ATDP1MAOB
SCHEMBL8539278 0.71 MAPT (0.55) VCPNPC1RAB9ATDP1

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
EP-3640247-B1 SYK INHIBITOR AND USE METHOD THEREFOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) 2022-01-12 — — EP disclosed
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