SCHEMBL9810896

SCHEMBL9810896

COCc1ccc(SSc2ccc(COC)c(Br)c2)cc1Br

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
RECQL P46063 2/20 0.32
PRKCE Q02156 2/20 0.32
MYLK Q15746 2/20 0.32
ALDH1A1 P00352 2/20 0.32
TSHR P16473 2/20 0.32
PRKCG P05129 1/20 0.32
MAPT P10636 1/20 0.32
PRKCA P17252 1/20 0.32
APEX1 P27695 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.32
HIF1A Q16665 1/20 0.32
HSD17B10 Q99714 1/20 0.32
POLB P06746 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL4799391 0.78 PYCR1 (0.43) TDP1MEN1KMT2ARECQLPRKCE
SCHEMBL6603605 0.76 APLNR (0.44) POLBIDO1HTR2AHTR2CTAAR1
SCHEMBL21362566 0.76 L3MBTL1 (0.41) TDP1MEN1KMT2AALDH1A1MAPT
SCHEMBL755548 0.76 PTPN1 (0.39) TDP1MEN1KMT2ARECQLPRKCE
SCHEMBL19859281 0.74 IDO1 (0.41) TDP1MEN1KMT2ARECQLPRKCE
SCHEMBL13327165 0.74 ALDH1A1 (0.41) TDP1MEN1KMT2ARECQLPRKCE
SCHEMBL31063157 0.73 MEN1 (0.32) TDP1MEN1KMT2ARECQLPRKCE
SCHEMBL31063377 0.72 HSD17B10 (0.36) TDP1MEN1KMT2ARECQLPRKCE
SCHEMBL31268407 0.72 CYP1A2 (0.41) TDP1MEN1KMT2AALDH1A1TSHR
SCHEMBL12374899 0.70 TDP1 (0.39) TDP1MEN1KMT2ARECQLALDH1A1

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
EP-0262870-B1 MORPHOLINE, PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-06-12 EP disclosed
US-4837236-A CONTROLLING PHYTOPATHOGENS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-06-06 US disclosed
EP-0262870-A2 Morpholine, piperidine and tetrahydropyridine derivatives, processes for their preparation and their use as fungicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-04-06 EP disclosed