SCHEMBL8414964

SCHEMBL8414964

CCc1c(C)cccc1NCCO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
HTT P42858 1/20 0.47
BRD4 O60885 2/20 0.46
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 3/20 0.42
GLA P06280 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP2C19 P33261 3/20 0.39
GBA1 P04062 1/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP3A4 P08684 3/20 0.37
CYP2D6 P10635 3/20 0.37
CYP2C9 P11712 3/20 0.37
CYP1A2 P05177 2/20 0.37
GAA P10253 2/20 0.37
HSD17B10 Q99714 2/20 0.37
HTR1A P08908 1/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37

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
SCHEMBL5185580 0.89 KDM4E (0.47) MAPTHTTBRD4KMT2AKDM4E
SCHEMBL19122441 0.81 MAPT (0.43) MAPTHTTKMT2ACYP2C19ALDH1A1
SCHEMBL28132355 0.80 ALDH1A1 (0.51) MAPTHTTKMT2AKDM4EL3MBTL1
Ammonia Solution, Strong SCHEMBL9730743 0.79 MAPT (0.42) MAPTHTTKMT2ACYP2C19ALDH1A1
SCHEMBL3875802 0.79 KMT2A (0.60) MAPTHTTBRD4KMT2AKDM4E
SCHEMBL14027406 0.79 MAPT (0.44) MAPTHTTBRD4KMT2AKDM4E
SCHEMBL29589735 0.79 MAPT (0.75) MAPTHTTBRD4KMT2AKDM4E
SCHEMBL56497 0.79 MAPT (0.75) MAPTHTTBRD4KMT2AKDM4E
SCHEMBL14027413 0.79 MAPT (0.47) MAPTHTTBRD4KMT2AL3MBTL1
SCHEMBL28155279 0.78 HTT (0.45) MAPTHTTKMT2AKDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0944656-A1 PROCESS FOR PREPARING RUBBER-MODIFIED MOULDING COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 1999-09-29 EP disclosed
EP-0937106-A1 INITIATOR SYSTEMS FOR ANIONIC POLYMERIZATION OF VINYL MONOMERS WITH POLAR GROUPS BASF AKTIENGESELLSCHAFT (DE) 1999-08-25 EP disclosed
WO-1998025980-A1 PROCESS FOR PREPARING RUBBER-MODIFIED MOULDING COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 1998-06-18 WO disclosed
WO-1998021249-A1 INITIATOR SYSTEMS FOR ANIONIC POLYMERIZATION OF VINYL MONOMERS WITH POLAR GROUPS BASF AKTIENGESELLSCHAFT (DE) 1998-05-22 WO disclosed
US-4237048-A COLORFASTNESS; FOR DYEING NATURAL AND SYNTHETIC FIBERS BAYER AKTIENGESELLSCHAFT (DE) 1980-12-02 US disclosed
US-3962209-A PROCESS FOR PREPARING AZO DYESTUFFS WITH ORTHO-AZO CYANO GROUPS BY CYANO EXCHANGE OF METAL CYANIDES AND HALO DYESTUFFS BAYER AKTIENGESELLSCHAFT (DT) 1976-06-08 US disclosed