SCHEMBL9505752

SCHEMBL9505752

O=[N+]([O-])c1ccc(C[n+]2ccccc2)cc1.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.63
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
MAPT P10636 3/20 0.63
KDM4E B2RXH2 2/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
LMNA P02545 4/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
RCE1 Q9Y256 1/20 0.48
POLB P06746 1/20 0.48
APOBEC3A P31941 1/20 0.48
APOBEC3G Q9HC16 1/20 0.48
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
PTPRF P10586 1/20 0.44
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
PTPN11 Q06124 1/20 0.44
LTA4H P09960 1/20 0.44
PLA2G2A P14555 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
SCHEMBL8733830 0.89 ALDH1A1 (0.71) ALDH1A1MEN1KMT2AMAPTKDM4E
Hydrochloric Acid SCHEMBL11134565 0.88 ALDH1A1 (0.74) ALDH1A1MEN1KMT2AMAPTKDM4E
Bromide SCHEMBL7965212 0.88 MEN1 (0.69) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL9241499 0.83 MEN1 (0.60) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL577509 0.81 LMNA (0.53) ALDH1A1KDM4ESMN1; SMN2LMNAL3MBTL1
Hydrochloric Acid SCHEMBL11134568 0.78 ALDH1A1 (0.79) ALDH1A1MEN1KMT2AMAPTKDM4E
Bromide SCHEMBL8664123 0.78 MEN1 (0.94) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL28129800 0.75 LMNA (0.67) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL9502792 0.73 LTA4H (0.47) ALDH1A1LMNALTA4HHSP90AA1RAB9A
SCHEMBL8733835 0.73 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0541631-A1 N-SUBSTITUTED PYRIDINIUMBORATES EASTMAN KODAK COMPANY (US) 1993-05-19 EP claimed
EP-0495071-A1 TONERS AND DEVELOPERS CONTAINING N-SUBSTITUTED PYRIDINIUM SALTS AS CHARGE CONTROL AGENTS EASTMAN KODAK COMPANY (US) 1992-07-22 EP claimed
WO-1992002504-A1 N-SUBSTITUTED PYRIDINIUMBORATES EASTMAN KODAK COMPANY (US) 1992-02-20 WO claimed
WO-1992002860-A1 TONERS AND DEVELOPERS CONTAINING N-SUBSTITUTED PYRIDINIUM SALTS AS CHARGE CONTROL AGENTS EASTMAN KODAK COMPANY (US) 1992-02-20 WO claimed
US-5075190-A Heat and humidity resistant EASTMAN KODAK COMPANY (US) 1991-12-24 US claimed
EP-0541631-A1 N-SUBSTITUTED PYRIDINIUMBORATES EASTMAN KODAK COMPANY (US) 1993-05-19 EP disclosed
EP-0495071-A1 TONERS AND DEVELOPERS CONTAINING N-SUBSTITUTED PYRIDINIUM SALTS AS CHARGE CONTROL AGENTS EASTMAN KODAK COMPANY (US) 1992-07-22 EP disclosed
WO-1992002504-A1 N-SUBSTITUTED PYRIDINIUMBORATES EASTMAN KODAK COMPANY (US) 1992-02-20 WO disclosed
WO-1992002860-A1 TONERS AND DEVELOPERS CONTAINING N-SUBSTITUTED PYRIDINIUM SALTS AS CHARGE CONTROL AGENTS EASTMAN KODAK COMPANY (US) 1992-02-20 WO disclosed
US-5075190-A Heat and humidity resistant EASTMAN KODAK COMPANY (US) 1991-12-24 US disclosed