SCHEMBL24784635

SCHEMBL24784635

COc1cc(F)cc(-c2ncc(Cn3ncc4cc(OC(F)F)cc(C(=O)O)c43)cn2)c1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALKBH1 Q13686 1/20 0.36
GRIN1 Q05586 7/20 0.35
GRIN2B Q13224 7/20 0.35
PTPN1 P18031 2/20 0.34
FPR1 P21462 1/20 0.33
FPR2 P25090 1/20 0.33
DHODH Q02127 1/20 0.33
ROCK2 O75116 1/20 0.33
GRK6 P43250 1/20 0.33
LDHA P00338 1/20 0.33
RORC P51449 1/20 0.33
CPT1A P50416 1/20 0.32
CPT1B Q92523 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32

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
SCHEMBL30103142 1.00 ALKBH1 (0.36) ALKBH1GRIN1GRIN2BPTPN1FPR1
SCHEMBL24784634 0.92 GRIN1 (0.34) ALKBH1GRIN1GRIN2BFPR1FPR2
SCHEMBL30017932 0.92 GRIN1 (0.34) ALKBH1GRIN1GRIN2BFPR1FPR2
SCHEMBL30103033 0.91 ALKBH1 (0.41) ALKBH1GRIN1GRIN2BPTPN1DHODH
SCHEMBL24785460 0.91 ALKBH1 (0.41) ALKBH1GRIN1GRIN2BPTPN1DHODH
SCHEMBL24784619 0.87 P2RX7 (0.38) ALKBH1GRIN1GRIN2BPTPN1DHODH
SCHEMBL30103035 0.87 P2RX7 (0.38) ALKBH1GRIN1GRIN2BPTPN1DHODH
SCHEMBL24785112 0.85 LDHA (0.36) ALKBH1GRIN1GRIN2BPTPN1FPR1
SCHEMBL30018051 0.85 LDHA (0.36) ALKBH1GRIN1GRIN2BPTPN1FPR1
SCHEMBL24784631 0.84 CNR2 (0.35)

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-2022257960-A1 BICYCLIC COMPOUND FOR THE TREATMENT OF EP2 AND EP4 RECEPTOR-MEDIATED DISEASES 武汉人福创新药物研发中心有限公司 2022-12-15 WO disclosed