SCHEMBL2311047

SCHEMBL2311047

OCC(c1ccccc1)n1c2ccccc2c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.43
OPRL1 P41146 1/20 0.41
BACE1 P56817 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 2/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
ADA P00813 1/20 0.39
CYP19A1 P11511 1/20 0.38
FABP3 P05413 1/20 0.38
FABP4 P15090 1/20 0.38
FABP5 Q01469 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL24440278 0.74 MEN1 (0.45) BRD4OPRL1MEN1KMT2AKDM4E
SCHEMBL16984870 0.72 BACE1 (0.44) BACE1MEN1KMT2AKDM4ECYP1A2
SCHEMBL18258637 0.72 BACE1 (0.44) BACE1MEN1KMT2AKDM4ECYP1A2
SCHEMBL31584953 0.72 MEN1 (0.49) BRD4OPRL1MEN1KMT2AADA
SCHEMBL15814556 0.69 TSHR (0.42) BACE1MEN1KMT2AKDM4ECYP1A2
SCHEMBL27900581 0.69 MEN1 (0.49) BRD4MEN1KMT2AKDM4E
SCHEMBL28639501 0.69 DPP4 (0.42) BACE1KDM4ECYP1A2CYP2C19CYP19A1
SCHEMBL28582210 0.69 BACE1 (0.41) BACE1MEN1KMT2AKDM4ECYP1A2
SCHEMBL28582211 0.69 BACE1 (0.41) BACE1MEN1KMT2AKDM4ECYP1A2
SCHEMBL6983607 0.67 OPRL1 (0.58) OPRL1MEN1KMT2ACYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989517-B2 Actinic ray curable composition, actinic ray curable ink, and image formation process employing the same KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2011-08-02 US disclosed
US-20070123600-A1 ACTINIC RAY CURABLE COMPOSITION, ACTINIC RAY CURABLE INK, AND IMAGE FORMATION PROCESS EMPLOYING THE SAME KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2007-05-31 US disclosed