SCHEMBL8621114

SCHEMBL8621114

COc1ccc(-c2cc(-c3ccc(N4CCCCC4)cc3)nc(-c3ccc(N4CCCCC4)cc3)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.56
ALDH1A1 P00352 3/20 0.56
HPGD P15428 3/20 0.56
HSD17B10 Q99714 2/20 0.56
APP P05067 4/20 0.55
TP53 P04637 1/20 0.54
GAA P10253 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.52
MAPK1 P28482 3/20 0.51
PIM1 P11309 3/20 0.51
ABL1 P00519 2/20 0.51
NTRK1 P04629 2/20 0.51
YES1 P07947 2/20 0.51
KDR P35968 2/20 0.51
HIPK1 Q86Z02 2/20 0.51
ADORA3 P0DMS8 1/20 0.49
PIM3 Q86V86 1/20 0.47
DHODH Q02127 1/20 0.47
HTR3E A5X5Y0 1/20 0.46
HTR3B O95264 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
SCHEMBL8653955 0.87 KDM4E (0.59) KDM4EALDH1A1APPGAASMN1; SMN2
SCHEMBL7859483 0.81 ADORA3 (0.61) KDM4EALDH1A1HPGDTP53SMN1; SMN2
SCHEMBL20748280 0.81 HTR3E (0.66) ALDH1A1HPGDHSD17B10APPSMN1; SMN2
SCHEMBL107369 0.81 HTR3E (0.66) ALDH1A1HPGDHSD17B10APPSMN1; SMN2
SCHEMBL20415006 0.81 HTR3E (0.66) ALDH1A1HPGDHSD17B10APPSMN1; SMN2
SCHEMBL20415005 0.81 HTR3E (0.66) ALDH1A1HPGDHSD17B10APPSMN1; SMN2
SCHEMBL7556935 0.81 ACVR1 (0.57) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL8618393 0.80 DHODH (0.44) KDM4EALDH1A1HPGDHSD17B10APP
SCHEMBL2925759 0.79 HTR3E (0.68) ALDH1A1HPGDHSD17B10APPSMN1; SMN2
SCHEMBL10979023 0.79 ALDH1A1 (0.52) KDM4EALDH1A1HPGDHSD17B10TP53

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