SCHEMBL10972792

SCHEMBL10972792

CCOc1cc(N(CC)CC)ccc1-c1cc(-c2cccs2)nc(-c2cccs2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.42
TSHR P16473 1/20 0.42
MAPT P10636 10/20 0.41
POLB P06746 1/20 0.41
KDM4E B2RXH2 8/20 0.41
ALDH1A1 P00352 7/20 0.41
HPGD P15428 5/20 0.41
RAB9A P51151 4/20 0.41
NPC1 O15118 2/20 0.41
HSD17B10 Q99714 1/20 0.41
TOP1 P11387 1/20 0.39
NPSR1 Q6W5P4 4/20 0.39
PPARG P37231 1/20 0.39
NCOA2 Q15596 1/20 0.39
NCOA1 Q15788 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
SMPD3 Q9NY59 1/20 0.38
HIF1A Q16665 1/20 0.38
RXFP1 Q9HBX9 3/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL11332105 0.82 ADORA1 (0.44) KMT2AMAPTKDM4EALDH1A1HPGD
SCHEMBL14819131 0.79 MAPT (0.47) KMT2AMAPTPOLBKDM4EALDH1A1
SCHEMBL8622378 0.79 APP (0.37) KMT2ATSHRMAPTKDM4EALDH1A1
SCHEMBL11334682 0.75 CYP11B1 (0.43) KMT2AMAPTKDM4EALDH1A1HPGD
SCHEMBL19626595 0.72 HTT (0.45) KMT2AMAPTALDH1A1RXFP1MEN1
SCHEMBL29114755 0.70 CBFB (0.43) KMT2AMAPTALDH1A1RAB9ANPC1
SCHEMBL19625432 0.70 MAPT (0.37) KMT2AMAPTKDM4EALDH1A1HPGD
SCHEMBL10977740 0.69 TOP1 (0.45) KMT2AMAPTPOLBKDM4EALDH1A1
SCHEMBL17626033 0.69 L3MBTL1 (0.36) KMT2AMAPTPOLBKDM4EALDH1A1
SCHEMBL8618972 0.69 TOP1 (0.44) KMT2AMAPTPOLBKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4540790-A COLORFORMERS INC PRESSURE SENSITIVE CARBONLESS DUPLICATION THE HILTON-DAVIS CHEMICAL CO. (US) 1985-09-10 US disclosed
EP-0061128-B1 PYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND SYSTEMS CONTAINING THEM STERLING DRUG INC. (US) 1985-09-04 EP disclosed
US-4396767-A COLORS, CARBONLESS DUPLICATION STERLING DRUG INC. (US) 1983-08-02 US disclosed
EP-0061128-A1 Pyridine compounds, process for their preparation and systems containing them STERLING DRUG INC. (US) 1982-09-29 EP disclosed