SCHEMBL4407341

SCHEMBL4407341

CC(C)Cn1nnc(-c2ccccc2)n1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.59
CNR1 P21554 1/20 0.59
CNR2 P34972 1/20 0.59
RAB9A P51151 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
HPGD P15428 1/20 0.53
ATM Q13315 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ALDH1A1 P00352 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50

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
SCHEMBL4923738 0.83 LMNA (0.68) TRPV1CNR1CNR2RAB9AMEN1
SCHEMBL2619292 0.79 SMN1; SMN2 (0.68) RAB9AL3MBTL1MEN1KMT2AHPGD
SCHEMBL24948886 0.79 LMNA (0.59) TRPV1CNR1CNR2SMN1; SMN2ALDH1A1
SCHEMBL4923728 0.78 TRPV1 (0.49) TRPV1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL1450062 0.77 ALDH1A1 (0.51) TRPV1CNR1CNR2L3MBTL1MEN1
SCHEMBL4405908 0.76 RAB9A (0.61) RAB9AL3MBTL1HPGDATMSMN1; SMN2
SCHEMBL513787 0.76 RAB9A (0.61) RAB9AL3MBTL1MEN1KMT2AHPGD
SCHEMBL23625644 0.76 RAB9A (0.65) RAB9AL3MBTL1ALDH1A1CYP1A2CYP2D6
SCHEMBL4412228 0.75 RAB9A (0.59) RAB9AL3MBTL1MEN1KMT2AHPGD
SCHEMBL4407129 0.75 TRPV1 (0.86) TRPV1CNR1CNR2RAB9AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1859782-B1 Composition for coloring and/or lightening human hair comprising tetrazoles HENKEL AG & CO KGAA (DE) 2009-12-30 EP disclosed
CN-101155780-A Hydroxamates as histone deacetylase inhibitors and pharmaceutical formulations containing them MENARINI INT OPERATIONS LU SA (LU) 2008-04-02 CN disclosed
EP-1859782-A1 Composition for coloring and/or lightening human hair comprising tetrazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP disclosed