SCHEMBL8615749

SCHEMBL8615749

CN(C)c1ccc(-c2nc(NCc3ccccc3)c3ccccc3n2)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 9/20 0.81
CYP1A2 P05177 8/20 0.81
CYP3A4 P08684 8/20 0.81
CYP2D6 P10635 8/20 0.81
CYP2C19 P33261 7/20 0.81
MAPT P10636 7/20 0.81
TP53 P04637 7/20 0.81
HSD17B10 Q99714 7/20 0.81
TSHR P16473 6/20 0.81
KDM4E B2RXH2 6/20 0.81
HPGD P15428 5/20 0.81
ALOX15 P16050 5/20 0.81
ALDH1A1 P00352 5/20 0.81
CYP2C9 P11712 4/20 0.81
RECQL P46063 4/20 0.81
MEN1 O00255 4/20 0.81
KMT2A Q03164 4/20 0.81
BLM P54132 4/20 0.81
SMN1; SMN2 Q16637 3/20 0.81
SLC6A3 Q01959 7/20 0.78

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
SCHEMBL14262792 0.95 KDM1A (0.78) LMNACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL17800913 0.88 SLC6A3 (1.00) LMNACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL1083763 0.86 PDE5A (1.00) LMNACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL12176300 0.85 MEN1 (0.81) LMNACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL7280049 0.85 ALDH1A1 (0.80) LMNACYP1A2CYP3A4CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL7287894 0.84 ALDH1A1 (0.79) LMNACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL1084183 0.84 MEN1 (0.89) LMNACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL3973202 0.83 PDE5A (0.65) LMNACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL2583256 0.83 PDE5A (0.90) LMNACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL2590764 0.83 MEN1 (0.81) LMNACYP1A2CYP3A4CYP2D6CYP2C19

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
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