SCHEMBL2822227

SCHEMBL2822227

COCCN(CCC#N)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.43
USP2 O75604 1/20 0.43
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
ALDH1A1 P00352 4/20 0.40
TP53 P04637 1/20 0.39
MDM2 Q00987 1/20 0.39
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
MLYCD O95822 1/20 0.37
KCNA5 P22460 1/20 0.37
KDM4E B2RXH2 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
CASP1 P29466 1/20 0.36
KLK7 P49862 1/20 0.36
CASP7 P55210 1/20 0.36
POLB P06746 1/20 0.35
THRB P10828 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
SCHEMBL2323987 0.86 USP2 (0.53) HSD17B10USP2MEN1KMT2AALDH1A1
SCHEMBL3954915 0.86 MEN1 (0.46) MEN1KMT2AALDH1A1TP53LMNA
SCHEMBL28590651 0.84 USP2 (0.41) HSD17B10USP2MEN1KMT2AALDH1A1
SCHEMBL10392197 0.83 USP2 (0.43) HSD17B10USP2MEN1KMT2AALDH1A1
SCHEMBL15264100 0.82 ALDH1A1 (0.39) HSD17B10USP2MEN1KMT2AALDH1A1
SCHEMBL11215078 0.82 ALDH1A1 (0.45) HSD17B10USP2MEN1KMT2AALDH1A1
SCHEMBL11702190 0.81 USP2 (0.46) HSD17B10USP2MEN1KMT2AALDH1A1
SCHEMBL7801577 0.80 USP2 (0.48) HSD17B10USP2MEN1KMT2AALDH1A1
SCHEMBL9057839 0.80 PPARG (0.47) HSD17B10USP2MEN1KMT2AALDH1A1
SCHEMBL11683653 0.79 USP2 (0.42) HSD17B10USP2MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7812141-B2 Azo compounds CLARIANT FINANCE (BVI) LIMITED (VG) 2010-10-12 US disclosed
EP-1824932-B1 AZO COMPOUNDS CLARIANT FINANCE BVI LTD (VG) 2010-08-04 EP disclosed
US-20080161545-A1 Azo Compounds CLARIANT FINANCE (BVI) LIMITED (VG) 2008-07-03 US disclosed
EP-1824932-A1 AZO COMPOUNDS Clariant International Ltd. (CH) 2007-08-29 EP disclosed
WO-2006061438-A1 AZO COMPOUNDS CLARIANT INTERNATIONAL LTD (CH) 2006-06-15 WO disclosed
US-4013632-A SYNTHETIC FIBERS PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1977-03-22 US disclosed