SCHEMBL6946144

SCHEMBL6946144

C[n+]1ccn(CC(=O)Nc2ccc(N(O)C(=O)Cn3cc[n+](C)c3)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPK1 P28482 2/20 0.40
HPGD P15428 4/20 0.38
TSHR P16473 2/20 0.38
MAPT P10636 3/20 0.38
POLB P06746 1/20 0.37
ALOX12 P18054 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35

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 SCHEMBL6944718 0.99 ALDH1A1 (0.42) ALDH1A1LMNASMN1; SMN2MAPK1HPGD
SCHEMBL6946419 0.90 SMN1; SMN2 (0.41) ALDH1A1LMNASMN1; SMN2HPGDTSHR
Hydrochloric Acid SCHEMBL6944489 0.89 SMN1; SMN2 (0.41) ALDH1A1LMNASMN1; SMN2HPGDTSHR
SCHEMBL6939931 0.88 MAPT (0.46) ALDH1A1LMNASMN1; SMN2MAPK1HPGD
Hydrochloric Acid SCHEMBL6945703 0.87 MAPT (0.45) ALDH1A1LMNASMN1; SMN2MAPK1HPGD
SCHEMBL6946011 0.86 CYP1A2 (0.45) ALDH1A1LMNASMN1; SMN2MAPK1HPGD
Hydrochloric Acid SCHEMBL6941405 0.85 CYP1A2 (0.44) ALDH1A1LMNASMN1; SMN2MAPK1HPGD
SCHEMBL6944276 0.83 LMNA (0.46) ALDH1A1LMNASMN1; SMN2MAPK1HPGD
Hydrochloric Acid SCHEMBL6946401 0.82 LMNA (0.45) ALDH1A1LMNASMN1; SMN2MAPK1HPGD
SCHEMBL6944878 0.82 LMNA (0.45) ALDH1A1LMNASMN1; SMN2MAPK1HPGD

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-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-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