SCHEMBL9694782

SCHEMBL9694782

CCCCCCCCCc1c(Cl)nc(-c2ccc(C(=O)OC)cc2)nc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ TLR8 Q9NR97 1/20 0.47
▸ MGLL Q99685 2/20 0.45
▸ RARB P10826 5/20 0.43
▸ CYP4A11 Q02928 2/20 0.43
▸ CYP4F2 P78329 1/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ RARA P10276 1/20 0.42
▸ MTOR P42345 1/20 0.42
▸ DHFR P00374 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ ADORA2A P29274 1/20 0.41

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
SCHEMBL9850104 0.79 ALDH1A1 (0.54) MAPTSMN1; SMN2RARBMEN1ALDH1A1
SCHEMBL10606383 0.78 GCGR (0.49) MAPTSMN1; SMN2TLR8MEN1ALDH1A1
SCHEMBL20874436 0.76 RARB (0.69) MAPTSMN1; SMN2RARBCYP4A11CYP4F2
SCHEMBL29116868 0.76 GCGR (0.48) MAPTSMN1; SMN2TLR8NPC1RAB9A
SCHEMBL4188800 0.76 RARB (0.69) MAPTSMN1; SMN2RARBCYP4A11CYP4F2
SCHEMBL2401275 0.76 RARB (0.69) MAPTSMN1; SMN2RARBCYP4A11CYP4F2
SCHEMBL4178997 0.76 RARB (0.69) MAPTSMN1; SMN2RARBCYP4A11CYP4F2
SCHEMBL9695133 0.76 RARB (0.73) MAPTSMN1; SMN2TLR8MGLLRARB
SCHEMBL9696525 0.76 RARB (0.73) MAPTSMN1; SMN2TLR8MGLLRARB
SCHEMBL9693690 0.76 RARB (0.73) MAPTSMN1; SMN2TLR8MGLLRARB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5124068-A Liquid crystal displays MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-06-23 — — US disclosed
US-5043093-A Liquid crystals MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-08-27 — — US disclosed
EP-0215800-B1 PYRIMIDINES MERCK PATENT GmbH (DE) 1990-04-04 — — EP disclosed
EP-0215800-A1 PYRIMIDINES. MERCK PATENT GMBH (DE) 1987-04-01 — — EP disclosed
WO-1986004060-A1 PYRIMIDINES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1986-07-17 — — WO disclosed
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