SCHEMBL6267239

SCHEMBL6267239

O=C(CCl)Nc1ccc(Br)cc1C(O)CCc1cccs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA5A P35218 3/20 0.43
CA7 P43166 3/20 0.43
CA5B Q9Y2D0 3/20 0.43
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 1/20 0.41
USP2 O75604 1/20 0.39
NPC1 O15118 2/20 0.38
CA13 Q8N1Q1 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 2/20 0.38
MITF O75030 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
POLB P06746 2/20 0.38
TDP1 Q9NUW8 2/20 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
SCHEMBL6270554 0.95 MEN1 (0.40) CA1CA2CA5ACA7CA5B
SCHEMBL6264555 0.89 MEN1 (0.42) CA1CA2CA5ACA7CA5B
SCHEMBL6267243 0.78 KMT2A (0.43) CA1CA2CA5ACA7CA5B
SCHEMBL6271786 0.76 NPC1 (0.45) MEN1KMT2AALDH1A1MAPK1NPC1
SCHEMBL6270555 0.75 KMT2A (0.40) CA1CA2CA5ACA7CA5B
SCHEMBL6271501 0.74 POLB (0.44) MEN1KMT2AALDH1A1MAPK1NPC1
SCHEMBL6264556 0.73 CASP3 (0.41) CA1CA2CA5ACA7CA5B
SCHEMBL3981602 0.73 ALDH1A1 (0.48) MEN1KMT2AALDH1A1MAPK1NPC1
SCHEMBL6270527 0.71 CASP3 (0.39) CA1CA2CA5ACA7CA5B
SCHEMBL6264474 0.70 RAB9A (0.48) KMT2AALDH1A1NPC1SMN1; SMN2LMNA

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
WO-2005095366-A1 7-ARYL 1,5-DIHYDRO-4,1-BENZOXAZEPIN-2(3H)-ONE DERIVATIVES AND THEIR USE AS PROGESTERONE RECEPTOR MODULATORS WYETH (US) 2005-10-13 WO disclosed