SCHEMBL7559366

SCHEMBL7559366

Nc1cccc2c(NCCO)cnn12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
PKM P14618 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 5/20 0.35
ALDH1A1 P00352 3/20 0.35
TSHR P16473 3/20 0.35
MAPK1 P28482 1/20 0.33
POLB P06746 2/20 0.33
GAA P10253 2/20 0.33
MKNK1 Q9BUB5 2/20 0.32
MKNK2 Q9HBH9 2/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
CASP1 P29466 1/20 0.32
BLM P54132 1/20 0.32
CASP7 P55210 1/20 0.32
CYP2C19 P33261 1/20 0.32
GLA P06280 2/20 0.32
HSP90AB1 P08238 1/20 0.31

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
SCHEMBL125285 0.75 NUDT1 (0.37) SMN1; SMN2PKMKMT2AKDM4EALDH1A1
SCHEMBL33682 0.69 SMPD3 (0.31) SMN1; SMN2KMT2AKDM4EALDH1A1TSHR
SCHEMBL24103795 0.66 TSHR (0.36) SMN1; SMN2KMT2AKDM4EALDH1A1TSHR
SCHEMBL6159780 0.63 SMN1; SMN2 (0.34) SMN1; SMN2PKMKMT2AKDM4EALDH1A1
SCHEMBL1232073 0.62 KDM4E (0.32) KDM4EALDH1A1
SCHEMBL30128490 0.62 KDM4E (0.49) SMN1; SMN2KMT2AKDM4EALDH1A1TSHR
SCHEMBL7375160 0.62 KDM4E (0.49) SMN1; SMN2KMT2AKDM4EALDH1A1TSHR
SCHEMBL6156472 0.61 KDM4E (0.57) KDM4EALDH1A1TSHRMAPK1POLB
Hydrochloric Acid SCHEMBL31352102 0.61 ALDH1A1 (0.32) PKMALDH1A1MAPT
SCHEMBL4953168 0.61 MKNK1 (0.40) KDM4EALDH1A1TSHRPOLBGAA

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
EP-1175198-A1 OXIDATION DYEING COMPOSITION FOR KERATINOUS FIBRES COMPRISING A N-(2-HYDROBENZENE)-CARBAMATE OR A N-(2-HYDROXY-BENZENE)-UREA AND A PYRAZOLOPYRIMINE, DYEING METHODS L'OREAL (FR) 2002-01-30 EP disclosed
WO-2001062220-A1 OXIDATION DYEING COMPOSITION FOR KERATINOUS FIBRES COMPRISING A N-(2-HYDROBENZENE)-CARBAMATE OR A N-(2-HYDROXY-BENZENE)-UREA AND A PYRAZOLOPYRIMINE, DYEING METHODS L'OREAL (FR) 2001-08-30 WO disclosed