SCHEMBL8771463

SCHEMBL8771463

Nc1ccc(Cc2ccc(Cc3ccccc3)cc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.78
TSHR P16473 2/20 0.78
TDP1 Q9NUW8 2/20 0.78
ALDH1A1 P00352 1/20 0.78
MAOB P27338 5/20 0.71
MAOA P21397 3/20 0.71
CALM1 P0DP23 1/20 0.67
GFER P55789 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
RAB9A P51151 2/20 0.52
PLA2G10 O15496 1/20 0.52
PLA2G2A P14555 1/20 0.52
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CYP17A1 P05093 1/20 0.52
CYP19A1 P11511 1/20 0.52
CYP11B1 P15538 1/20 0.52
CYP11B2 P19099 1/20 0.52
LTA4H P09960 2/20 0.50

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
SCHEMBL202238 1.00 CYP3A4 (0.78) CYP3A4TSHRTDP1ALDH1A1MAOB
4,4'-Methylenedianiline SCHEMBL28946261 1.00 CYP3A4 (0.78) CYP3A4TSHRTDP1ALDH1A1MAOB
Hydrochloric Acid SCHEMBL8746107 0.97 CYP3A4 (0.74) CYP3A4TSHRTDP1ALDH1A1MAOB
Formaldehyde SCHEMBL29210908 0.93 CYP3A4 (0.67) CYP3A4TSHRTDP1ALDH1A1MAOB
SCHEMBL19139334 0.93 CYP3A4 (0.67) CYP3A4TSHRTDP1ALDH1A1MAOB
Diphenylmethane SCHEMBL27677719 0.92 CALM1 (0.71) CYP3A4TSHRTDP1ALDH1A1MAOB
Benzidine SCHEMBL28918829 0.90 CYP3A4 (0.67) CYP3A4TSHRTDP1ALDH1A1MAOB
SCHEMBL6362775 0.88 CYP3A4 (1.00) CYP3A4TSHRTDP1ALDH1A1MAOB
4,4'-Methylenedianiline SCHEMBL28001 0.88 CYP3A4 (1.00) CYP3A4TSHRTDP1ALDH1A1MAOB
SCHEMBL8094139 0.88 CYP3A4 (1.00) CYP3A4TSHRTDP1ALDH1A1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3064991-A1 LIQUID-CRYSTAL DISPLAY ELEMENT DIC Corporation (JP) 2016-09-07 EP disclosed
CN-1173886-A Polyamic acid, polyimide film and liquid crystal aligning film and liquid crystal display element CHISSO CORP (JP) 1998-02-18 CN disclosed
EP-0799270-A1 POLYAMIC ACID, POLYIMIDE FILM AND LIQUID CRYSTAL ALIGNING FILM AND LIQUID CRYSTAL DISPLAY ELEMENT CHISSO CORPORATION (JP) 1997-10-08 EP disclosed
WO-1997014742-A1 POLYAMIC ACID, POLYIMIDE FILM AND LIQUID CRYSTAL ALIGNING FILM AND LIQUID CRYSTAL DISPLAY ELEMENT CHISSO CORPORATION (JP) 1997-04-24 WO disclosed