SCHEMBL9723111

SCHEMBL9723111

NN1CN(N)CN(c2ccccc2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
SIGMAR1 Q99720 2/20 0.43
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
ADRB1 P08588 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
CHRNA7 P36544 3/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
CHRNB2 P17787 1/20 0.40
NFKB1 P19838 1/20 0.40
MAPK1 P28482 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPT P10636 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39

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
SCHEMBL474882 0.81 SIGMAR1 (0.52) LMNASIGMAR1HTR3EHTR3BADRB1
SCHEMBL1484564 0.75 LMNA (0.54) LMNASIGMAR1HTR3EHTR3BADRB1
SCHEMBL28644066 0.74 LMNA (0.46) LMNASIGMAR1HTR3EHTR3BADRB1
Hydrochloric Acid SCHEMBL9079605 0.73 LMNA (0.52) LMNASIGMAR1HTR3EHTR3BADRB1
SCHEMBL1006036 0.70 LMNA (0.54) LMNASIGMAR1HTR3EHTR3BADRB1
SCHEMBL14859797 0.70 LMNA (0.43) LMNASIGMAR1HTR3EHTR3BADRB1
SCHEMBL28729461 0.70 BPTF (0.43) LMNASIGMAR1HTR3EHTR3BADRB1
SCHEMBL9620435 0.70 LMNA (0.43) LMNASIGMAR1HTR3EHTR3BADRB1
SCHEMBL576454 0.69 LMNA (0.67) LMNASIGMAR1HTR3EHTR3BADRB1
SCHEMBL164538 0.69 LMNA (0.67) LMNASIGMAR1HTR3EHTR3BADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0510439-A1 Compositions of polyarylene sulphides, glass fibres and melamine resins BAYER AG (DE) 1992-10-28 EP disclosed
EP-0502358-A1 Composition of polyarylene sulphides, melamine resins and rubbers BAYER AG (DE) 1992-09-09 EP disclosed
US-3966727-A Manufacture of phthalo-bis-guanamines BASF AKTIENGESELLSCHAFT (DT) 1976-06-29 US disclosed