SCHEMBL9496763

SCHEMBL9496763

CCCCCCCCCCCCCCCCCC(Cc1ccccc1)N(C)C.O=[N+]([O-])c1cccc(S(=O)(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.49
OPRK1 P41145 1/20 0.49
KMT2A Q03164 4/20 0.45
MAPT P10636 3/20 0.42
MAPK1 P28482 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 2/20 0.41
PKM P14618 1/20 0.41
LMNA P02545 2/20 0.40
MEN1 O00255 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
CYP19A1 P11511 1/20 0.39
MAOB P27338 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 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
SCHEMBL8411870 0.84 GRM8 (0.42) OPRM1OPRK1KMT2AMAPTMAPK1
SCHEMBL4420687 0.83 ALDH1A1 (0.40) KMT2AMAPTMAPK1SMN1; SMN2ALDH1A1
SCHEMBL4420683 0.83 ALDH1A1 (0.40) KMT2AMAPTMAPK1SMN1; SMN2ALDH1A1
SCHEMBL9497810 0.83 ALDH1A1 (0.40) KMT2AMAPTMAPK1SMN1; SMN2ALDH1A1
SCHEMBL9396534 0.82 MAPT (0.46) KMT2AMAPTMAPK1SMN1; SMN2ALDH1A1
SCHEMBL17179997 0.81 CNR2 (0.43) KMT2AMAPK1ALDH1A1LMNACYP1A2
SCHEMBL6231999 0.81 CNR2 (0.43) KMT2AMAPK1ALDH1A1LMNACYP1A2
SCHEMBL17180009 0.79 CSNK1E (0.49) OPRM1OPRK1ALDH1A1LMNA
SCHEMBL9496774 0.78 ALDH1A1 (0.39) KMT2AMAPTMAPK1SMN1; SMN2ALDH1A1
SCHEMBL9498966 0.77 MAPT (0.43) KMT2AMAPTMAPK1SMN1; SMN2ALDH1A1

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-0321363-B1 NEW ELECTROSTATOGRAPHIC TONERS AND DEVELOPERS CONTAINING NEW CHARGE-CONTROL AGENTS EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1993-03-31 EP disclosed
EP-0519396-A1 Dry electrostatographic developer composition and method for developing electrostatic latent images EASTMAN KODAK COMPANY (US) 1992-12-23 EP disclosed
EP-0321363-A2 New electrostatographic toners and developers containing new charge-control agents EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1989-06-21 EP disclosed