SCHEMBL25856348

SCHEMBL25856348

COc1ccc(CCNCc2ccc(-c3cc(-c4cccc(C(F)(F)F)c4)[nH]n3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
NPC1 O15118 1/20 0.48
MAPK1 P28482 1/20 0.48
RAB9A P51151 1/20 0.48
KDM4E B2RXH2 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
XBP1 P17861 1/20 0.47
HTT P42858 1/20 0.47
BLM P54132 1/20 0.47
PRKD1 Q15139 2/20 0.46
ACP1 P24666 2/20 0.45
RAF1 P04049 1/20 0.44
THRB P10828 1/20 0.44
TP53 P04637 2/20 0.44
TDP1 Q9NUW8 1/20 0.43
ATM Q13315 1/20 0.43

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
SCHEMBL25856271 0.89 RAF1 (0.56) MAPTKDM4EPRKD1RAF1TP53
SCHEMBL25306725 0.85 MAPT (0.53) MAPTRAB9AKDM4EMEN1KMT2A
SCHEMBL9976034 0.74 RAB9A (0.77) MAPTNPC1MAPK1RAB9AKDM4E
SCHEMBL25308786 0.74 MAPT (0.57) MAPTNPC1RAB9ASMN1; SMN2PRKD1
SCHEMBL22307585 0.74 RAB9A (0.81) MAPTNPC1MAPK1RAB9AKDM4E
SCHEMBL29033894 0.73 MAPT (0.53) MAPTNPC1MAPK1RAB9AKDM4E
SCHEMBL25262291 0.72 ABL1 (0.49) MAPTPRKD1RAF1TP53PARP1
SCHEMBL25309227 0.72 MAPT (0.58) MAPTNPC1RAB9ASMN1; SMN2RAF1
SCHEMBL1181118 0.72 RAB9A (0.77) MAPTNPC1MAPK1RAB9AKDM4E
SCHEMBL17279790 0.72 RAB9A (0.77) MAPTNPC1MAPK1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023130540-A1 PYRAZOL BENZAMIDE COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 苏州大学 2023-07-13 WO disclosed