SCHEMBL6680396

SCHEMBL6680396

CCCCCc1ccc(N=Nc2ccc(OCCCCCCBr)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ USP2 O75604 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ CASP1 P29466 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ SLCO1B3 Q9NPD5 1/20 0.53
▸ SLCO1B1 Q9Y6L6 1/20 0.53
▸ NR5A1 Q13285 1/20 0.46
▸ TP53 P04637 2/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ THRA P10827 1/20 0.46

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
SCHEMBL9474396 1.00 LMNA (0.53) LMNAMEN1USP2ALDH1A1CYP3A4
SCHEMBL6680394 1.00 LMNA (0.53) LMNAMEN1USP2ALDH1A1CYP3A4
SCHEMBL9474399 1.00 LMNA (0.53) LMNAMEN1USP2ALDH1A1CYP3A4
SCHEMBL28444370 0.96 CYP3A4 (0.55) LMNAMEN1USP2ALDH1A1CYP3A4
SCHEMBL9245210 0.93 CYP3A4 (0.55) LMNAMEN1USP2ALDH1A1CYP3A4
SCHEMBL9245202 0.93 CYP3A4 (0.55) LMNAMEN1USP2ALDH1A1CYP3A4
SCHEMBL19996603 0.93 LMNA (0.60) LMNAMEN1USP2ALDH1A1CYP3A4
SCHEMBL18405976 0.93 LMNA (0.60) LMNAMEN1USP2ALDH1A1CYP3A4
SCHEMBL31542561 0.93 LMNA (0.60) LMNAMEN1USP2ALDH1A1CYP3A4
SCHEMBL5188564 0.93 LMNA (0.60) LMNAMEN1USP2ALDH1A1CYP3A4

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
WO-2004048499-A2 COMBINED ROD-DISC CRYSTALLINE SYSTEMS WITH NEMATIC PROPERTIES THE UNIVERSITY OF HULL (GB) 2004-06-10 — — WO disclosed
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