SCHEMBL9680001

SCHEMBL9680001

COc1ccc(C(=O)C2(Cc3ccccc3)Cc3ccccc3CN2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 4/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
ACHE P22303 1/20 0.44
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
HCN1 O60741 1/20 0.41
GRIN1 Q05586 1/20 0.41
PLAU P00749 1/20 0.41
ELANE P08246 1/20 0.41
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
GPR52 Q9Y2T5 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL6830859 0.79 LMNA (0.40) CYP2D6TSHRMEN1ALDH1A1KMT2A
SCHEMBL9679498 0.77 CES2 (0.44) NPC1RAB9ACES2CES1HCN1
SCHEMBL11226559 0.68 NPC1 (0.52) GRIN2BNPC1RAB9AACHECES2
SCHEMBL6919722 0.66 TP53 (0.38) CYP2D6MEN1KMT2AMAPT
SCHEMBL13291882 0.66 LTA4H (0.47) NPC1RAB9ATSHRMEN1ALDH1A1
SCHEMBL248073 0.64 NPC1 (0.73) NPC1RAB9ACES2CES1PLAU
SCHEMBL7828984 0.63 EPHX1 (0.46) NPC1RAB9AACHEHCN1MAPT
SCHEMBL1304210 0.63 NPC1 (1.00) NPC1RAB9ACES2CES1CYP2D6
SCHEMBL7705956 0.63 LTA4H (0.72) NPC1RAB9AACHECES2CES1
SCHEMBL11954278 0.63 TACR1 (0.46) CYP2D6TSHRMEN1ALDH1A1KMT2A

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
US-5145885-A Morpholine compound, binders CIBA-GEIGY CORPORATION (US) 1992-09-08 US disclosed
US-4992547-A Aminoaryl ketone photoinitiators CIBA-GEIGY CORPORATION (US) 1991-02-12 US disclosed
US-4900823-A PHOTOINITIATORS FOR PHOTOCURING CIBA-GEIGY CORPORATION (US) 1990-02-13 US disclosed
EP-0138754-B1 PHOTOCURABLE COMPOSITIONS CIBA-GEIGY AG (CH) 1988-05-25 EP disclosed
US-4739052-A PHOTOINITIATORS CIBA-GEIGY CORPORATION (US) 1988-04-19 US disclosed
US-4559371-A FOR PRINTING INKS AND PAINTS CIBA GEIGY CORPORATION (US) 1985-12-17 US disclosed
EP-0138754-A2 Photocurable compositions CIBA-GEIGY AG (CH) 1985-04-24 EP disclosed
EP-0117233-A1 Coloured photo-curable mouldings CIBA-GEIGY AG (CH) 1984-08-29 EP disclosed