SCHEMBL10545136

SCHEMBL10545136

CCCCCc1cnc(-c2ccc(C[C@@H](Cl)C(=O)O)cc2)nc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 7/20 0.64
▸ SMN1; SMN2 Q16637 5/20 0.52
▸ RAB9A P51151 5/20 0.52
▸ NPC1 O15118 4/20 0.52
▸ NFKB1 P19838 2/20 0.52
▸ NFKB2 Q00653 1/20 0.52
▸ RELA Q04206 1/20 0.52
▸ ALDH1A1 P00352 6/20 0.51
▸ MAPT P10636 5/20 0.51
▸ KDM4E B2RXH2 4/20 0.51
▸ MEN1 O00255 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ HPGD P15428 3/20 0.51
▸ USP2 O75604 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ RARA P10276 1/20 0.47
▸ MTOR P42345 1/20 0.47
▸ CASP3 P42574 1/20 0.45
▸ SENP8 Q96LD8 1/20 0.45

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
SCHEMBL9236481 0.99 RARB (0.67) RARBSMN1; SMN2RAB9ANPC1NFKB1
SCHEMBL10552555 0.99 RARB (0.67) RARBSMN1; SMN2RAB9ANPC1NFKB1
SCHEMBL9236995 0.99 RARB (0.67) RARBSMN1; SMN2RAB9ANPC1NFKB1
SCHEMBL10548487 0.99 RARB (0.67) RARBSMN1; SMN2RAB9ANPC1NFKB1
SCHEMBL9434994 0.99 RARB (0.67) RARBSMN1; SMN2RAB9ANPC1NFKB1
SCHEMBL9238763 0.99 RARB (0.67) RARBSMN1; SMN2RAB9ANPC1NFKB1
SCHEMBL10547744 0.99 RARB (0.67) RARBSMN1; SMN2RAB9ANPC1NFKB1
SCHEMBL10547849 0.96 RARB (0.59) RARBSMN1; SMN2RAB9ANPC1NFKB1
SCHEMBL10545284 0.91 RARB (0.51) RARBSMN1; SMN2RAB9ANPC1NFKB1
SCHEMBL10528745 0.86 RARB (0.62) RARBSMN1; SMN2RAB9ANPC1NFKB1

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
US-4834904-A FERROELECTRIC LIQUID CRYSTALS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-05-30 — — US disclosed
Send feedback