SCHEMBL11255698

SCHEMBL11255698

OC(C#CI)(c1ccncc1)c1ccc(F)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.59
RAB9A P51151 1/20 0.59
CYP19A1 P11511 5/20 0.40
LTA4H P09960 1/20 0.38
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
MAPK14 Q16539 4/20 0.34
GCGR P47871 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPK13 O15264 1/20 0.34
PRKD3 O94806 1/20 0.34
MAP4K4 O95819 1/20 0.34
FRK P42685 1/20 0.34
MAPK9 P45984 1/20 0.34
CSNK1A1 P48729 1/20 0.34
CSNK1D P48730 1/20 0.34
GSK3B P49841 1/20 0.34
MAPK12 P53778 1/20 0.34
PTK6 Q13882 1/20 0.34

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
SCHEMBL11249887 0.83 USP2 (0.59) USP2RAB9ACYP19A1LTA4HMEN1
SCHEMBL11254850 0.82 CHRM2 (0.43) USP2RAB9ACYP19A1MEN1KMT2A
SCHEMBL2309836 0.75 USP2 (1.00) USP2RAB9ACYP19A1LTA4HMEN1
SCHEMBL11684104 0.72 USP2 (0.70) USP2RAB9ACYP19A1LTA4HMEN1
SCHEMBL11258472 0.70 MEN1 (0.46) CYP19A1MEN1KMT2ACHRM2CHRM3
SCHEMBL10767261 0.69 USP2 (0.66) USP2RAB9ACYP19A1LTA4HMEN1
SCHEMBL7398340 0.69 USP2 (0.66) USP2RAB9ACYP19A1LTA4HMEN1
SCHEMBL7442397 0.69 USP2 (0.85) USP2RAB9ACYP19A1
SCHEMBL11681426 0.69 USP2 (0.66) USP2RAB9ACYP19A1LTA4HMEN1
SCHEMBL11258277 0.69 CYP19A1 (0.42) CYP19A1L3MBTL1

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-4322442-A INSECTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1982-03-30 US disclosed