SCHEMBL11754129

SCHEMBL11754129

CN(C)CCCn1c2ccccc2c2cc(N)ccc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.61
MEN1 O00255 1/20 0.61
ALDH1A1 P00352 1/20 0.61
MAPT P10636 1/20 0.61
HPGD P15428 1/20 0.61
MAPK1 P28482 1/20 0.61
HTT P42858 1/20 0.61
HBB P68871 1/20 0.61
KMT2A Q03164 1/20 0.61
HSD17B10 Q99714 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
CYP2D6 P10635 1/20 0.59
SIGMAR1 Q99720 1/20 0.57
CNR2 P34972 2/20 0.56
DRD3 P35462 2/20 0.51
RXRA P19793 1/20 0.51
HTR6 P50406 2/20 0.50
CHRM2 P08172 1/20 0.50
HTR1A P08908 1/20 0.50
CHRM5 P08912 1/20 0.50

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
SCHEMBL11755867 0.91 MAPT (0.65) KDM4EMEN1ALDH1A1MAPTHPGD
Hydrochloric Acid SCHEMBL11828278 0.90 ALDH1A1 (0.63) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL11835284 0.88 MAPT (0.49) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL29907915 0.86 CYP2D6 (0.74) ALDH1A1CYP2D6CNR2DRD3HTR6
SCHEMBL541688 0.86 CYP2D6 (0.74) ALDH1A1CYP2D6CNR2DRD3HTR6
SCHEMBL11510880 0.84 MPO (0.48) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL31739343 0.84 ALDH1A1 (0.71) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL10945941 0.84 ALDH1A1 (0.71) KDM4EMEN1ALDH1A1MAPTHPGD
Hydrochloric Acid SCHEMBL11824254 0.83 MPO (0.49) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL11834370 0.83 CYP2D6 (0.59) KDM4EMEN1MAPTMAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3975398-A INDICATOR FOR DETERMINATION OF GLUCOSE BOEHRINGER MANNHEIM G.M.B.H. (DT) 1976-08-17 US claimed
US-4061642-A AZO DYE INTERMEDIATES CASSELLA FARBWERKE MAINKUR AG (DT) 1977-12-06 US disclosed
US-3988208-A FOR GLUCOSE BOEHRINGER MANNHEIM G.M.B.H. (DT) 1976-10-26 US disclosed
US-3980659-A INSECTICIDES, INTERMEDIATES FOR AZO DYES CASSELLA FARBWERKE MAINKUR AKTIENGESELLSCHAFT (DT) 1976-09-14 US disclosed
US-3975398-A INDICATOR FOR DETERMINATION OF GLUCOSE BOEHRINGER MANNHEIM G.M.B.H. (DT) 1976-08-17 US disclosed
US-3956294-A AZO DYES, PESTICIDES, ANALEPTICS, ANALGESICS, DIURETICS CASSELLA FARBWERKE MAINKUR AKTIENGESELLSCHAFT (DT) 1976-05-11 US disclosed
US-3954782-A 2,6-Hydrazino-3-pyridine carboxyamides CASSELLA FARBWERKE MAINKUR AKTIENGESELLSCHAFT (DT) 1976-05-04 US disclosed
US-3946024-A INTERMEDIATES FOR AZO DYES CASSELLA FARBWERKE MAINKUR AG (DT) 1976-03-23 US disclosed