SCHEMBL11223213

SCHEMBL11223213

Sc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.63
MAPT P10636 2/20 0.63
KMT2A Q03164 2/20 0.63
GAA P10253 2/20 0.63
MAPK1 P28482 1/20 0.63
KDM4E B2RXH2 1/20 0.63
NFKB1 P19838 1/20 0.57
KCNH3 Q9ULD8 6/20 0.57
RECQL P46063 1/20 0.53
MCL1 Q07820 1/20 0.53
LMNA P02545 1/20 0.53
ALDH1A1 P00352 1/20 0.52
NPY5R Q15761 1/20 0.50
RHOA P61586 1/20 0.50
IDH2 P48735 1/20 0.50
DDX3X O00571 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL1152315 0.95 MAPT (0.57) MEN1MAPTKMT2AGAAMAPK1
SCHEMBL1151631 0.93 MAPT (0.55) MEN1MAPTKMT2AGAAMAPK1
SCHEMBL29528529 0.93 MAPT (0.55) MEN1MAPTKMT2AGAAMAPK1
SCHEMBL11364527 0.93 MAPT (0.55) MEN1MAPTKMT2AGAAMAPK1
SCHEMBL16628855 0.91 MAPK1 (0.54) MEN1MAPTKMT2AGAAMAPK1
SCHEMBL633400 0.88 MEN1 (0.77) MEN1MAPTKMT2AGAAMAPK1
SCHEMBL23264222 0.86 KCNH3 (0.49) MEN1MAPTKMT2AGAAMAPK1
SCHEMBL11225942 0.86 MEN1 (0.48) MEN1MAPTKMT2AGAAMAPK1
SCHEMBL11616799 0.85 SMN1; SMN2 (0.49) MEN1MAPTKMT2AGAAMAPK1
SCHEMBL16628856 0.84 MEN1 (0.46) MEN1MAPTKMT2AGAAMAPK1

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
US-4322214-A USING A SULFUR OR SULFURIZED VAT DYE IN AN ALKALINE BATH CONTAINING A MERCAPTO COMPOUND AND A SULFITE SALT; LEVELING ASAHI CHEMICAL COMPANY LIMITED (JP) 1982-03-30 US disclosed
US-4105627-A MERCAPTOHETEROCYCLIC RESIN STABILIZERS ARGUS CHEMICAL CORPORATION (US) 1978-08-08 US disclosed