SCHEMBL1009890

SCHEMBL1009890

C1=NC(Cc2ccccc2)(Cc2ccccc2)N=N1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.38
MAOB P27338 7/20 0.38
CALM1 P0DP23 1/20 0.33
KDM1A O60341 4/20 0.32
TSHR P16473 2/20 0.31
IDO1 P14902 1/20 0.31
TP53 P04637 1/20 0.31
LOXL2 Q9Y4K0 1/20 0.31
TRPA1 O75762 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HSD11B1 P28845 1/20 0.31
ELANE P08246 1/20 0.31
FDPS P14324 1/20 0.31

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
SCHEMBL5282506 0.73 MAOB (0.43) MAOAMAOBCALM1KDM1ATSHR
Hydrochloric Acid SCHEMBL28727280 0.71 MAOA (0.41) MAOAMAOBCALM1KDM1ATSHR
SCHEMBL10446224 0.67 MAOA (0.41) MAOAMAOBCALM1KDM1ATSHR
SCHEMBL6002831 0.67 TSHR (0.41) MAOAMAOBCALM1KDM1ATSHR
SCHEMBL28573761 0.67 TP53 (0.41) MAOAMAOBCALM1TSHRTP53
SCHEMBL10967375 0.67 MAOA (0.38) MAOAMAOBCALM1KDM1ATSHR
SCHEMBL5280214 0.67 TP53 (0.41) MAOAMAOBCALM1KDM1ATSHR
SCHEMBL6002827 0.67 ALDH1A1 (0.39) MAOAMAOBCALM1LOXL2ALDH1A1
SCHEMBL23039225 0.65 ELANE (0.40) MAOAMAOBCALM1TSHRTP53
SCHEMBL5275325 0.64 MMP2 (0.38) MAOAMAOBCALM1KDM1ATP53

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-2268652-A2 PLATINUM-N-HETEROCYCLIC CARBENE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2011-01-05 EP disclosed
WO-2009118475-A2 PLATINUM-N-HETEROCYCLIC CARBENE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-10-01 WO disclosed