SCHEMBL6664632

SCHEMBL6664632

NN=c1sc2ccccc2n1Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.59
KDM4E B2RXH2 1/20 0.59
PKM P14618 1/20 0.59
GAA P10253 3/20 0.54
ALDH1A1 P00352 3/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
ATM Q13315 1/20 0.54
CYP19A1 P11511 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
MAPK1 P28482 2/20 0.43
POLB P06746 1/20 0.43
LMNA P02545 3/20 0.43
HTR1A P08908 1/20 0.43
HTR7 P34969 1/20 0.43
TP53 P04637 2/20 0.42
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41

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 SCHEMBL5899714 0.98 L3MBTL1 (0.58) L3MBTL1KDM4EPKMGAAALDH1A1
Hydrochloric Acid SCHEMBL5899716 0.98 L3MBTL1 (0.58) L3MBTL1KDM4EPKMGAAALDH1A1
SCHEMBL4615041 0.88 SMN1; SMN2 (0.47) L3MBTL1KDM4EPKMGAAALDH1A1
SCHEMBL4615823 0.80 ALDH1A1 (0.53) L3MBTL1KDM4EPKMGAAALDH1A1
SCHEMBL4615827 0.80 ALDH1A1 (0.53) L3MBTL1KDM4EPKMGAAALDH1A1
SCHEMBL4615779 0.79 ALDH1A1 (0.51) L3MBTL1KDM4EPKMGAAALDH1A1
Hydrochloric Acid SCHEMBL5899798 0.79 KMT2A (0.55) L3MBTL1KDM4EPKMGAAALDH1A1
Hydrochloric Acid SCHEMBL5899799 0.79 KMT2A (0.55) L3MBTL1KDM4EPKMGAAALDH1A1
SCHEMBL4615948 0.77 KMT2A (0.50) L3MBTL1KDM4EPKMGAAALDH1A1
SCHEMBL4614841 0.77 KMT2A (0.50) GAAALDH1A1MEN1KMT2AATM

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-1448540-A1 AGENT AND METHOD FOR COLORING KERATIN FIBERS CONTAINING 2-BENZOTHIAZOLINONE-HYDRAZONE AND QUINONE DERIVATIVES Wella Aktiengesellschaft (DE) 2004-08-25 EP claimed
WO-2003042199-A1 AGENT AND METHOD FOR COLORING KERATIN FIBERS CONTAINING 2-BENZOTHIAZOLINONE-HYDRAZONE AND QUINONE DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 2003-05-22 WO claimed