SCHEMBL7500928

SCHEMBL7500928

CCCCCCCCCCOc1ncc(-c2ccc(-c3ccccc3)nc2)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.51
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 3/20 0.51
HPGD P15428 3/20 0.51
HTT P42858 1/20 0.51
SOAT1 P35610 1/20 0.46
CYP2D6 P10635 2/20 0.46
CYP19A1 P11511 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP1A2 P05177 1/20 0.46
RAB9A P51151 5/20 0.45
NPC1 O15118 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
MAPT P10636 3/20 0.45
STAT3 P40763 1/20 0.45
ATM Q13315 1/20 0.45
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44

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
SCHEMBL7497548 1.00 L3MBTL1 (0.51) L3MBTL1KDM4EALDH1A1HPGDHTT
SCHEMBL12243310 0.86 KDM4E (0.65) L3MBTL1KDM4EALDH1A1HPGDHTT
SCHEMBL502920 0.81 KDM4E (0.47) L3MBTL1KDM4EALDH1A1HPGDHTT
SCHEMBL2448227 0.79 KDM4E (0.72) L3MBTL1KDM4EALDH1A1HPGDHTT
SCHEMBL5848362 0.79 CYP3A4 (0.48) L3MBTL1KDM4EALDH1A1HPGDHTT
SCHEMBL18790889 0.78 RAB9A (0.63) L3MBTL1KDM4EALDH1A1HPGDRAB9A
SCHEMBL9506174 0.77 CYP2D6 (0.57) L3MBTL1KDM4EALDH1A1HPGDHTT
SCHEMBL9506148 0.77 CYP2D6 (0.57) L3MBTL1KDM4EALDH1A1HPGDHTT
SCHEMBL8919072 0.76 NR5A1 (0.57) L3MBTL1KDM4EALDH1A1HPGDHTT
SCHEMBL8034268 0.76 NR5A1 (0.57) L3MBTL1KDM4EALDH1A1HPGDHTT

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
EP-0541081-B1 Compounds with only a side chain for use in liquid crystal mixtures AVENTIS RES & TECH GMBH & CO (DE) 2002-04-10 EP disclosed
US-5849216-A Compounds for use in liquid-crystal mixtures HOECHST AKTIENGESELLSCHAFT (DE) 1998-12-15 US disclosed
EP-0541081-A2 Compounds with only a side chain for use in liquid crystal mixtures HOECHST AKTIENGESELLSCHAFT (DE) 1993-05-12 EP disclosed