SCHEMBL8617570

SCHEMBL8617570

CCOC(=O)c1cc(N(CC)CC)ccc1-c1cc(-c2ccc(N(C)C)cc2)nc(-c2ccc(N(C)C)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.47
SIRT2 Q8IXJ6 4/20 0.47
SIRT1 Q96EB6 3/20 0.47
ATM Q13315 1/20 0.45
JAK2 O60674 1/20 0.43
JAK3 P52333 1/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PRKCI P41743 1/20 0.43
PRKCZ Q05513 1/20 0.43
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
KDM4E B2RXH2 3/20 0.42
HPGD P15428 2/20 0.42
NPC1 O15118 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.41
MAPK1 P28482 2/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL10975600 0.93 SIRT2 (0.47) SIRT2SIRT1ATMJAK2JAK3
SCHEMBL11000873 0.85 CASP1 (0.51) RAB9AMEN1KMT2APRKCIPRKCZ
SCHEMBL8622378 0.79 APP (0.37) ATMRAB9AMEN1KMT2AALDH1A1
SCHEMBL8660215 0.78 PGR (0.46) MAOBMEN1KMT2AALDH1A1HPGD
SCHEMBL11032607 0.76 CASP1 (0.53) JAK2JAK3RAB9AMEN1KMT2A
SCHEMBL8623343 0.74 LTB4R (0.43) JAK2MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL11153676 0.73 SIRT2 (0.49) SIRT2SIRT1JAK2JAK3RAB9A
SCHEMBL27714618 0.70 MAOB (0.58) MAOBATMRAB9AMEN1KMT2A
SCHEMBL17212679 0.70 MAOB (0.46) MAOBSIRT2SIRT1RAB9AMEN1
SCHEMBL11669735 0.70 TSHR (0.56) MAOBSIRT2SIRT1JAK2JAK3

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