SCHEMBL28832201

SCHEMBL28832201

O=C(O)c1cccc(-c2cccc(CF)c2)c1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.61
NR4A2 P43354 1/20 0.55
RXRA P19793 2/20 0.54
RXRB P28702 2/20 0.54
BCL2 P10415 1/20 0.54
FOLH1 Q04609 1/20 0.53
MRGPRX4 Q96LA9 2/20 0.51
FNTA P49354 2/20 0.51
FNTB P49356 2/20 0.51
PGGT1B P53609 1/20 0.51
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PTGER1 P34995 1/20 0.48

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
SCHEMBL10655399 0.89 FOLH1 (0.66) NR4A2FOLH1MRGPRX4
SCHEMBL30578357 0.89 FOLH1 (0.66) NR4A2FOLH1MRGPRX4
Hydrochloric Acid SCHEMBL27689479 0.87 FOLH1 (0.63) NR4A2FOLH1MRGPRX4
SCHEMBL5519447 0.84 KMO (0.63) KMONR4A2RXRARXRBBCL2
SCHEMBL30725957 0.82 KMO (0.86) KMORXRARXRB
SCHEMBL29904709 0.82 KMO (0.86) KMORXRARXRB
SCHEMBL71238 0.82 KMO (0.86) KMORXRARXRB
SCHEMBL1252499 0.82 CFD (0.66) KMONR4A2RXRARXRBBCL2
SCHEMBL12894987 0.82 BCL2 (0.78) KMONR4A2RXRARXRBBCL2
Hydrochloric Acid SCHEMBL4350309 0.80 KMO (0.83) KMORXRARXRB

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-105814038-B Benzimidazole derivatives as EP4 ligands 拜耳医药股份公司 2018-12-04 CN disclosed
CN-105814038-A Benzimidazole derivatives as EP4 ligands 拜耳医药股份公司 2016-07-27 CN disclosed