SCHEMBL11744026

SCHEMBL11744026

Cc1cc2oc(C(=O)O)c(C)c2cc1Br

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GPR35 Q9HC97 1/20 0.63
▸ MCL1 Q07820 4/20 0.54
▸ HPGD P15428 7/20 0.51
▸ ALDH1A1 P00352 6/20 0.51
▸ KDM4E B2RXH2 5/20 0.51
▸ GAA P10253 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ KMT2A Q03164 3/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ HTT P42858 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ MEN1 O00255 1/20 0.40

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
SCHEMBL5599691 0.86 GPR35 (0.71) GPR35MCL1HPGDALDH1A1KDM4E
SCHEMBL11745361 0.81 ALDH1A1 (0.57) GPR35MCL1HPGDALDH1A1KDM4E
SCHEMBL11742716 0.80 GPR35 (0.63) GPR35MCL1HPGDALDH1A1KDM4E
SCHEMBL11750096 0.78 ALDH1A1 (0.57) GPR35MCL1HPGDALDH1A1KDM4E
SCHEMBL14703003 0.77 GPR35 (1.00) GPR35MCL1HPGDALDH1A1KDM4E
SCHEMBL16684635 0.77 MCL1 (0.67) GPR35MCL1HPGDALDH1A1KDM4E
SCHEMBL3617512 0.77 MCL1 (0.67) GPR35MCL1HPGDALDH1A1KDM4E
SCHEMBL11746390 0.73 KDM4E (0.63) GPR35MCL1HPGDALDH1A1KDM4E
SCHEMBL1065472 0.72 MCL1 (0.71) GPR35MCL1HPGDALDH1A1KDM4E
SCHEMBL4655120 0.72 MCL1 (0.71) GPR35MCL1HPGDALDH1A1KDM4E

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
US-4009994-A Process and product of optical brightening with quaternized benzofuranyl-benzimidazoles CIBA-GEIGY CORPORATION (US) 1977-03-01 — — US disclosed
US-3940417-A Quaternised benzofuranyl-benzimidazoles CIBA-GEIGY CORPORATION (US) 1976-02-24 — — US disclosed
Send feedback