SCHEMBL9657388

SCHEMBL9657388

CN(C)CCCCCCCCCCCCCCCCCCCc1ccccc1.O=[N+]([O-])c1cccc(S(=O)(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.51
ALDH1A1 P00352 2/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
HPGD P15428 1/20 0.45
PKM P14618 2/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
CYP19A1 P11511 1/20 0.44

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
SCHEMBL9540386 0.83 MAPT (0.53) ALDH1A1KMT2AMEN1PKMMAPT
SCHEMBL9540381 0.83 MAPT (0.53) ALDH1A1KMT2AMEN1PKMMAPT
Diphenylmethane SCHEMBL9101946 0.79 KMT2A (0.57) ALDH1A1KMT2AMEN1PKMSMN1; SMN2
SCHEMBL17179999 0.78 SIGMAR1 (0.62) SIGMAR1RAB9A
SCHEMBL11235442 0.78 KCNH2 (0.51) SIGMAR1KMT2AMEN1PKM
Benzylamine SCHEMBL9450914 0.78 CA2 (0.56) ALDH1A1KMT2AMEN1PKMGAA
Benzylamine SCHEMBL9450916 0.78 CA2 (0.56) ALDH1A1KMT2AMEN1PKMGAA
Benzene SCHEMBL27935914 0.78 KMT2A (0.70) ALDH1A1KMT2AMEN1GAAHTT
SCHEMBL9498966 0.78 MAPT (0.43) ALDH1A1KMT2AMEN1HPGDMAPT
SCHEMBL9498960 0.78 MAPT (0.43) ALDH1A1KMT2AMEN1HPGDMAPT

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-0519396-A1 Dry electrostatographic developer composition and method for developing electrostatic latent images EASTMAN KODAK COMPANY (US) 1992-12-23 EP disclosed
US-4758491-A Dry toner and developer composition EASTMAN KODAK COMPANY (US) 1988-07-19 US disclosed