SCHEMBL8617554

SCHEMBL8617554

CN(C)c1ccc(-c2cc(-c3ccc(F)cc3)cc(-c3ccc(N(C)C)cc3)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.53
USP2 O75604 3/20 0.51
ALDH1A1 P00352 3/20 0.51
CYP1A2 P05177 3/20 0.51
CYP3A4 P08684 3/20 0.51
CYP2D6 P10635 3/20 0.51
ALOX15 P16050 3/20 0.51
MAPK1 P28482 3/20 0.51
CYP2C19 P33261 3/20 0.51
CLK4 Q9HAZ1 3/20 0.51
MEN1 O00255 2/20 0.51
TP53 P04637 2/20 0.51
CYP2C9 P11712 2/20 0.51
KMT2A Q03164 2/20 0.51
HSD17B10 Q99714 2/20 0.51
GLA P06280 1/20 0.51
TCF4 P15884 1/20 0.48
CTNNB1 P35222 1/20 0.48
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 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
SCHEMBL10415424 1.00 APP (0.53) APPUSP2ALDH1A1CYP1A2CYP3A4
SCHEMBL8618775 0.91 MAPT (0.54) APPALDH1A1ALOX15HSD17B10MAPT
SCHEMBL22198819 0.90 APP (0.48) APPUSP2ALDH1A1CYP1A2CYP3A4
SCHEMBL4001714 0.84 KDM4E (0.53) ALDH1A1MAPK1MEN1KMT2AMAPT
SCHEMBL4353469 0.84 LTB4R (0.55) APPALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL8617572 0.84 ALDH1A1 (0.56) APPALDH1A1MEN1KMT2AMAPT
SCHEMBL18867181 0.84 ALDH1A1 (0.56) APPALDH1A1MEN1KMT2AMAPT
SCHEMBL8621730 0.84 LTB4R (0.55) APPALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL8616881 0.84 LTB4R (0.55) APPALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL7052585 0.82 APP (0.64) APPUSP2ALDH1A1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023085225-A1 METHOD FOR MANUFACTURING RECYCLED RESIN COMPOSITION 住友化学株式会社 2023-05-19 WO disclosed
EP-0659582-B1 Reversible thermochromic composition PILOT INK CO LTD (JP) 1998-05-13 EP disclosed
US-5558700-A QUINAZOLENE OR PYRIDINE ELECTRON DONOR, ELECTRON ACCEPTOR THE PILOT INK CO., LTD. (JP) 1996-09-24 US disclosed
EP-0659582-A1 Reversible thermochromic composition THE PILOT INK CO., LTD. (JP) 1995-06-28 EP disclosed
EP-0061128-B1 PYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND SYSTEMS CONTAINING THEM STERLING DRUG INC. (US) 1985-09-04 EP disclosed
US-4446321-A COLOR FORMERS, CARBON-FREE DUPLICATION STERLING DRUG INC. (US) 1984-05-01 US disclosed
US-4363503-A FOR PRESSURE SENSITIVE CARBONLESS DUPLICATING AND THERMAL MARKING SYSTEMS STERLING DRUG INC. (US) 1982-12-14 US disclosed
EP-0061128-A1 Pyridine compounds, process for their preparation and systems containing them STERLING DRUG INC. (US) 1982-09-29 EP disclosed