SCHEMBL11035599

SCHEMBL11035599

CSc1nnc(-c2ccccc2)cc1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
POLB P06746 1/20 0.44
PKM P14618 1/20 0.44
RAB9A P51151 1/20 0.44
SMARCA2 P51531 1/20 0.43
SMARCA4 P51532 1/20 0.43
PBRM1 Q86U86 1/20 0.43
ACHE P22303 2/20 0.43
LMNA P02545 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CHRM1 P11229 1/20 0.41
CNR1 P21554 1/20 0.41
HTR2B P41595 1/20 0.41
KCNH2 Q12809 1/20 0.41

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
SCHEMBL1753066 0.82 MAPT (0.50) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL1752853 0.81 SQOR (0.48) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL23205340 0.78 RAB9A (0.52) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL1753020 0.76 MAPT (0.48) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL2494812 0.75 RAB9A (0.58) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL1752814 0.73 RAB9A (0.47) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL6744620 0.73 RAB9A (0.47) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL30962961 0.73 CASP1 (0.53) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL1752894 0.73 LDHA (0.50) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL1752783 0.73 SMARCA2 (0.66) ALDH1A1MEN1KMT2AKDM4EMAPT

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
JP-59001469-A None JP disclosed
JP-S591469-A PYRIDAZINE DERIVATIVE AND SELECTIVE HERBICIDE NIPPON SODA CO LTD 1984-01-06 JP disclosed