SCHEMBL11064075

SCHEMBL11064075

O=C(O)N(Cl)CCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
MEN1 O00255 1/20 0.56
ALOX5 P09917 5/20 0.49
KEAP1 Q14145 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
CA12 O43570 2/20 0.46
CA9 Q16790 2/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
AOC3 Q16853 1/20 0.45
HDAC3 O15379 1/20 0.45
MAPK1 P28482 1/20 0.45
ADRA1A P35348 1/20 0.45
HDAC4 P56524 1/20 0.45
SLC6A3 Q01959 1/20 0.45

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
SCHEMBL7838666 0.84 KMT2A (0.53) KMT2ANPC1RAB9ATDP1MEN1
SCHEMBL1255010 0.80 CA12 (0.55) KMT2ANPC1RAB9AMEN1CA12
SCHEMBL4333356 0.78 KMT2A (0.55) KMT2ANPC1RAB9ATDP1MEN1
SCHEMBL5933377 0.78 TDP1 (0.66) KMT2ANPC1RAB9ATDP1MEN1
SCHEMBL1520687 0.77 ALOX5 (0.65) KMT2ANPC1RAB9ATDP1MEN1
SCHEMBL1206390 0.75 AOC3 (0.55) KMT2ANPC1RAB9ATDP1MEN1
SCHEMBL2018404 0.75 TDP1 (0.52) KMT2ANPC1RAB9ATDP1MEN1
SCHEMBL7228409 0.75 MEN1 (0.61) KMT2ANPC1RAB9ATDP1MEN1
SCHEMBL6138832 0.75 KMT2A (0.52) KMT2ANPC1RAB9ATDP1MEN1
SCHEMBL1520363 0.75 KMT2A (0.59) KMT2ANPC1RAB9ATDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4487952-A CARBONYLATION OF AROMATIC NITRO COMPOUNDS ANIC S.P.A. (IT) 1984-12-11 US disclosed