SCHEMBL9013563

SCHEMBL9013563

COc1ccc(-c2cc(O)nc(C)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.50
NPC1 O15118 7/20 0.49
RAB9A P51151 6/20 0.49
KDM4E B2RXH2 4/20 0.49
MAPT P10636 4/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
POLB P06746 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
ALDH1A1 P00352 2/20 0.49
ATM Q13315 2/20 0.49
CXCL12 P48061 1/20 0.49
PKM P14618 1/20 0.49
OPRK1 P41145 1/20 0.49
EGFR P00533 1/20 0.49
KDR P35968 1/20 0.49
FYN P06241 1/20 0.47
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
CASP3 P42574 2/20 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
SCHEMBL3237986 0.87 EGFR (0.60) DYRK1ANPC1RAB9AKDM4EMAPT
SCHEMBL7375465 0.84 DYRK1A (0.51) DYRK1ANPC1RAB9AKDM4EMAPT
SCHEMBL3304247 0.83 MAPT (0.53) DYRK1ANPC1RAB9AKDM4EMAPT
SCHEMBL25841681 0.83 NPC1 (0.59) DYRK1ANPC1RAB9AKDM4EMAPT
SCHEMBL10967059 0.82 MAPT (0.46) NPC1RAB9AKDM4EMAPTMEN1
SCHEMBL3453296 0.81 DYRK1A (0.71) DYRK1ANPC1RAB9AKDM4EMAPT
SCHEMBL11247361 0.80 NPC1 (0.64) DYRK1ANPC1RAB9AKDM4EMAPT
SCHEMBL9013572 0.79 KDM4E (0.53) DYRK1ANPC1RAB9AKDM4EMAPT
SCHEMBL5420904 0.79 ADORA3 (0.43) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL4297486 0.78 KMT2A (0.51) RAB9AKDM4EMAPTMEN1KMT2A

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-5589477-A LEARNING ENHANCEMENT, CNS NIPPON SHINYAKU COMPANY, LIMITED (JP) 1996-12-31 US disclosed
EP-0555478-A1 PYRIMIDINE DERIVATIVE AND MEDICINE NIPPON SHINYAKU COMPANY, LIMITED (JP) 1993-08-18 EP disclosed