SCHEMBL9435142

SCHEMBL9435142

CCCCCCCCCOc1ccc(-c2ccc(CCCCCCC)nn2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.54
ALDH1A1 P00352 3/20 0.54
HPGD P15428 3/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
HTT P42858 1/20 0.54
MAPT P10636 2/20 0.50
RAB9A P51151 2/20 0.50
CYP2D6 P10635 6/20 0.49
CYP19A1 P11511 5/20 0.49
CYP2C9 P11712 4/20 0.49
CYP2C19 P33261 4/20 0.49
CYP1A2 P05177 3/20 0.49
NR5A1 Q13285 1/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
RARB P10826 3/20 0.47
HTR2A P28223 3/20 0.47
MCHR1 Q99705 3/20 0.47

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
SCHEMBL9232626 1.00 KDM4E (0.54) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL9241182 1.00 KDM4E (0.54) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL9239699 1.00 KDM4E (0.54) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL9435160 1.00 KDM4E (0.54) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL9235334 1.00 KDM4E (0.54) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL9237548 1.00 KDM4E (0.54) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL9232756 1.00 KDM4E (0.54) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL9434572 1.00 KDM4E (0.54) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL9240732 1.00 KDM4E (0.54) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL9239544 1.00 KDM4E (0.54) KDM4EALDH1A1HPGDL3MBTL1HTT

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-5279762-A High speed switching MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-01-18 US disclosed
EP-0220296-B1 SMECTIC LIQUID CRYSTALLINE PHASES HOECHST AKTIENGESELLSCHAFT (DE) 1993-07-28 EP disclosed
US-5064566-A Chirally tilted, pyrimidines, pyridines, or pyrazines, stability MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-11-12 US disclosed
EP-0220296-A1 SMECTIC LIQUID CRYSTALLINE PHASES. MERCK PATENT GMBH (DE) 1987-05-06 EP disclosed
WO-1986006401-A1 SMECTIC LIQUID CRYSTALLINE PHASES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1986-11-06 WO disclosed