SCHEMBL6943594

SCHEMBL6943594

CC(=O)Nc1ccc(NC(=O)Cn2cc[n+](C)c2)c(O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.40
ALDH1A1 P00352 5/20 0.40
TSHR P16473 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2C9 P11712 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
PKM P14618 1/20 0.39
HPGD P15428 4/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAOA P21397 1/20 0.37
USP2 O75604 1/20 0.37
HTT P42858 1/20 0.37
MAPK1 P28482 1/20 0.37

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
Hydrochloric Acid SCHEMBL5243053 0.99 POLB (0.40) POLBALDH1A1TSHRSMN1; SMN2LMNA
SCHEMBL6943122 0.95 POLB (0.43) POLBALDH1A1TSHRSMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL6944277 0.94 POLB (0.42) POLBALDH1A1TSHRSMN1; SMN2LMNA
SCHEMBL6946140 0.94 HPGD (0.44) ALDH1A1TSHRSMN1; SMN2LMNACYP3A4
Hydrochloric Acid SCHEMBL6939292 0.93 HPGD (0.43) ALDH1A1TSHRSMN1; SMN2LMNACYP3A4
SCHEMBL6939926 0.89 CYP2C19 (0.39) ALDH1A1TSHRSMN1; SMN2LMNACYP3A4
Hydrochloric Acid SCHEMBL6942087 0.88 CYP2C19 (0.38) ALDH1A1TSHRSMN1; SMN2LMNACYP3A4
SCHEMBL6575606 0.86 POLB (0.39) POLBALDH1A1TSHRSMN1; SMN2LMNA
SCHEMBL6945393 0.86 ALDH1A1 (0.41) ALDH1A1TSHRSMN1; SMN2LMNACYP3A4
Hydrochloric Acid SCHEMBL6573111 0.85 POLB (0.38) POLBALDH1A1TSHRSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1066022-B1 COMPOSITIONS FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC COUPLER, NOVEL CATIONIC COUPLERS, THEIR USE FOR OXIDATION DYEING AND DYEING METHODS OREAL (FR) 2003-10-22 EP claimed
EP-1066022-A1 COMPOSITIONS FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC COUPLER, NOVEL CATIONIC COUPLERS, THEIR USE FOR OXIDATION DYEING AND DYEING METHODS L'OREAL (FR) 2001-01-10 EP claimed
WO-2000042979-A1 COMPOSITIONS FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC COUPLER, NOVEL CATIONIC COUPLERS, THEIR USE FOR OXIDATION DYEING AND DYEING METHODS L'OREAL (FR) 2000-07-27 WO claimed
EP-1066022-B1 COMPOSITIONS FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC COUPLER, NOVEL CATIONIC COUPLERS, THEIR USE FOR OXIDATION DYEING AND DYEING METHODS OREAL (FR) 2003-10-22 EP disclosed
EP-1066022-A1 COMPOSITIONS FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC COUPLER, NOVEL CATIONIC COUPLERS, THEIR USE FOR OXIDATION DYEING AND DYEING METHODS L'OREAL (FR) 2001-01-10 EP disclosed
WO-2000042979-A1 COMPOSITIONS FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC COUPLER, NOVEL CATIONIC COUPLERS, THEIR USE FOR OXIDATION DYEING AND DYEING METHODS L'OREAL (FR) 2000-07-27 WO disclosed