SCHEMBL9633148

SCHEMBL9633148

CCN(CC)c1ccc(C=C2CN(C)CC(=Cc3ccc(N(CC)CC)cc3C)C2=O)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.50
ACHE P22303 2/20 0.50
NFE2L2 Q16236 1/20 0.44
S100B P04271 1/20 0.41
MAPK1 P28482 2/20 0.41
IKBKB O14920 1/20 0.41
RAF1 P04049 1/20 0.41
RPS6KB1 P23443 1/20 0.41
AKT1 P31749 1/20 0.41
AKT2 P31751 1/20 0.41
KDR P35968 1/20 0.41
MAPKAPK2 P49137 1/20 0.41
PRKAG1 P54619 1/20 0.41
MAP2K1 Q02750 1/20 0.41
PRKAA1 Q13131 1/20 0.41
NEK1 Q96PY6 1/20 0.41
PRKAB1 Q9Y478 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 3/20 0.40

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
SCHEMBL9633176 0.88 ALDH1A1 (0.42) PTGS2ACHES100BMAPK1MEN1
SCHEMBL1416417 0.86 S100B (0.45) PTGS2ACHES100BMAPK1MEN1
SCHEMBL1416418 0.86 S100B (0.45) PTGS2ACHES100BMAPK1MEN1
SCHEMBL8780603 0.86 ACHE (0.49) PTGS2ACHENFE2L2MAPK1IKBKB
SCHEMBL9342036 0.84 ACHE (0.49) ACHENFE2L2S100BMEN1KMT2A
SCHEMBL11319345 0.84 ACHE (0.49) ACHENFE2L2S100BMEN1KMT2A
SCHEMBL9632481 0.84 S100B (0.43) S100BMAPK1MEN1KMT2AALDH1A1
SCHEMBL9633072 0.84 ALDH1A1 (0.58) PTGS2ACHENFE2L2MEN1KMT2A
SCHEMBL9631742 0.83 S100B (0.42) S100BMAPK1IKBKBRAF1RPS6KB1
SCHEMBL2203151 0.79 ACHE (0.57) PTGS2ACHEMAPK1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0295044-B1 PHOTOINITIATOR AND PHOTOPOLYMERIZABLE COMPOSITION USING THE SAME Hitachi Chemical Co., Ltd. (JP) 1992-04-22 EP disclosed
US-4987057-A HIGH SENSITIVITY TO VISIBLE LIGHT RAYS HITACHI CHEMICAL CO., LTD. (JP) 1991-01-22 US disclosed
EP-0295044-A2 Photoinitiator and photopolymerizable composition using the same Hitachi Chemical Co., Ltd. (JP) 1988-12-14 EP disclosed