SCHEMBL18774372

SCHEMBL18774372

Cc1cc[n+](CC(N)=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
RCE1 Q9Y256 1/20 0.44
ALDH1A1 P00352 4/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
HPGD P15428 2/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CHKA P35790 1/20 0.39
MAPT P10636 1/20 0.39
KDM4E B2RXH2 1/20 0.38
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
RAB9A P51151 1/20 0.38
HSP90AA1 P07900 1/20 0.38

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
SCHEMBL9716912 0.82 MEN1 (0.43) MEN1KMT2ARCE1ALDH1A1LMNA
SCHEMBL12789356 0.80 ALDH1A1 (0.44) MEN1KMT2ARCE1ALDH1A1LMNA
SCHEMBL10033887 0.80 ALDH1A1 (0.47) KMT2AALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL14621784 0.79 KMT2A (0.50) MEN1KMT2ARCE1ALDH1A1LMNA
SCHEMBL9332702 0.78 MEN1 (0.41) MEN1KMT2ARCE1ALDH1A1LMNA
SCHEMBL28579468 0.78 CYP1A2 (0.45) MEN1KMT2ARCE1ALDH1A1LMNA
Iodide SCHEMBL11239592 0.77 SMN1; SMN2 (0.42) MEN1KMT2ARCE1ALDH1A1LMNA
Bromide SCHEMBL28589738 0.76 LMNA (0.44) MEN1KMT2ARCE1ALDH1A1LMNA
Bromide SCHEMBL10553531 0.75 MEN1 (0.42) MEN1KMT2ARCE1ALDH1A1LMNA
SCHEMBL8971275 0.74 ALDH1A1 (0.45) MEN1KMT2AALDH1A1LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2677995-B1 COMPOSITION FOR DYEING KERATIN FIBRES COMPRISING A DIRECT DYE BEARING A DISULFIDE/THIOL FUNCTION, A NONIONIC SURFACTANT, AN AMPHOTERIC SURFACTANT, AN ALKALINE AGENT AND A REDUCING AGENT L'ORÉAL (FR) 2017-04-26 EP disclosed