SCHEMBL11684104

SCHEMBL11684104

CC(O)(c1ccncc1)c1ccc(F)cc1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.70
RAB9A P51151 1/20 0.70
CYP19A1 P11511 4/20 0.46
NR3C1 P04150 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
LTA4H P09960 1/20 0.44
KIF11 P52732 2/20 0.42
CYP17A1 P05093 1/20 0.41
GCGR P47871 1/20 0.41
TAAR1 Q96RJ0 1/20 0.40
HSD11B1 P28845 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL9205598 0.90 USP2 (0.58) USP2RAB9ACYP19A1NR3C1KIF11
SCHEMBL11024025 0.87 KMT2A (0.56) USP2RAB9ACYP19A1NR3C1MEN1
SCHEMBL28197455 0.87 MEN1 (0.50) USP2RAB9ACYP19A1MEN1KMT2A
SCHEMBL11681426 0.84 USP2 (0.66) USP2RAB9ACYP19A1MEN1KMT2A
SCHEMBL2309836 0.83 USP2 (1.00) USP2RAB9ACYP19A1MEN1KMT2A
SCHEMBL30927967 0.80 CYP19A1 (0.51) USP2RAB9ACYP19A1NR3C1
SCHEMBL29226475 0.80 CYP19A1 (0.51) USP2RAB9ACYP19A1NR3C1
SCHEMBL29226478 0.80 CYP19A1 (0.51) USP2RAB9ACYP19A1NR3C1
SCHEMBL18084413 0.79 KMT2A (0.45) USP2RAB9ACYP19A1MEN1KMT2A
SCHEMBL6000168 0.79 USP2 (0.59) USP2RAB9ACYP19A1LTA4HKIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4054570-A NEUROLEPTIC AGENTS CIBA-GEIGY CORPORATION (US) 1977-10-18 US disclosed
US-3992546-A 4-Piperidinobutyrophenones as neuroleptics CIBA-GEIGY CORPORATION (US) 1976-11-16 US disclosed