SCHEMBL3498087

SCHEMBL3498087

C=CCNc1ccc(Nc2ccccc2)cc1.Cc1ccc(S(=O)(=O)Nc2ccc(Nc3ccccc3)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.74
▸ KMT2A Q03164 3/20 0.74
▸ GAA P10253 2/20 0.74
▸ CA12 O43570 1/20 0.64
▸ CA1 P00915 1/20 0.64
▸ CA2 P00918 1/20 0.64
▸ CA9 Q16790 1/20 0.64
▸ GFER P55789 2/20 0.56
▸ FFAR1 O14842 1/20 0.54
▸ ALDH1A1 P00352 8/20 0.53
▸ PKM P14618 1/20 0.53
▸ AR P10275 1/20 0.52
▸ POLB P06746 1/20 0.50
▸ AVPR2 P30518 1/20 0.49
▸ GPR27 Q9NS67 1/20 0.49
▸ LMNA P02545 2/20 0.48
▸ RECQL P46063 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ MAPT P10636 1/20 0.48

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
SCHEMBL1419561 0.94 KMT2A (0.66) MEN1KMT2AGAACA12CA1
SCHEMBL92717 0.86 KMT2A (1.00) MEN1KMT2AGAACA12CA1
SCHEMBL1952693 0.86 KMT2A (1.00) MEN1KMT2AGAACA12CA1
SCHEMBL9479370 0.86 KMT2A (1.00) MEN1KMT2AGAACA12CA1
Ammonia Solution, Strong SCHEMBL15741206 0.85 KMT2A (0.97) MEN1KMT2AGAACA12CA1
SCHEMBL11705580 0.80 MEN1 (0.86) MEN1KMT2AGAACA12CA1
SCHEMBL19119164 0.80 CA12 (1.00) MEN1KMT2AGAACA12CA1
SCHEMBL11256680 0.80 MAPT (0.50) MEN1KMT2AGAACA12CA1
SCHEMBL322990 0.80 CA12 (1.00) MEN1KMT2AGAACA12CA1
Water SCHEMBL3944291 0.79 CA12 (0.96) MEN1KMT2AGAACA12CA1

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
US-20120248378-A1 Substituted Triazine Compositions and Methods for Producing Same ADDIVANT USA, LLC 2012-10-04 — — US disclosed
US-20100010122-A1 SUBSTITUTED TRIAZINE COMPOSITIONS AND METHODS FOR PRODUCING SAME HOMECARE LABS, INC. 2010-01-14 — — US disclosed
US-4794134-A TRIS/N-ALKYL-P-PHENYLENEDIAMINO/-1,3,5-TRIAZINES; NONCRACKING; BELTS, HOSES, TIRES UNIROYAL CHEMICAL COMPANY, INC. (US) 1988-12-27 — — US disclosed
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