SCHEMBL9434994

SCHEMBL9434994

CCCCCCc1cnc(-c2ccc(C[C@@H](Cl)C(=O)O)cc2)nc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 8/20 0.67
▸ ALDH1A1 P00352 5/20 0.53
▸ RAB9A P51151 4/20 0.53
▸ SMN1; SMN2 Q16637 4/20 0.53
▸ MAPT P10636 4/20 0.53
▸ MEN1 O00255 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ KDM4E B2RXH2 3/20 0.53
▸ HPGD P15428 2/20 0.53
▸ USP2 O75604 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ NPC1 O15118 3/20 0.51
▸ NFKB1 P19838 2/20 0.51
▸ NFKB2 Q00653 1/20 0.51
▸ RELA Q04206 1/20 0.51
▸ RARA P10276 1/20 0.49
▸ MTOR P42345 1/20 0.49
▸ STAT3 P40763 1/20 0.45
▸ ATM Q13315 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
SCHEMBL10547744 1.00 RARB (0.67) RARBALDH1A1RAB9ASMN1; SMN2MAPT
SCHEMBL9236995 1.00 RARB (0.67) RARBALDH1A1RAB9ASMN1; SMN2MAPT
SCHEMBL9238763 1.00 RARB (0.67) RARBALDH1A1RAB9ASMN1; SMN2MAPT
SCHEMBL10548487 1.00 RARB (0.67) RARBALDH1A1RAB9ASMN1; SMN2MAPT
SCHEMBL9236481 1.00 RARB (0.67) RARBALDH1A1RAB9ASMN1; SMN2MAPT
SCHEMBL10552555 1.00 RARB (0.67) RARBALDH1A1RAB9ASMN1; SMN2MAPT
SCHEMBL10545136 0.99 RARB (0.64) RARBALDH1A1RAB9ASMN1; SMN2MAPT
SCHEMBL10547849 0.95 RARB (0.59) RARBALDH1A1RAB9ASMN1; SMN2MAPT
SCHEMBL10545284 0.90 RARB (0.51) RARBALDH1A1RAB9ASMN1; SMN2MAPT
SCHEMBL10528745 0.87 RARB (0.62) RARBALDH1A1RAB9ASMN1; SMN2MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5279762-A High speed switching MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-01-18 — — US disclosed
US-5064566-A Chirally tilted, pyrimidines, pyridines, or pyrazines, stability MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-11-12 — — US disclosed
US-4834904-A FERROELECTRIC LIQUID CRYSTALS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-05-30 — — US disclosed
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