SCHEMBL7214541

SCHEMBL7214541

N[CH]C(c1ccncc1)c1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.39
RAB9A P51151 1/20 0.39
LTA4H P09960 1/20 0.39
CYP19A1 P11511 3/20 0.39
IDO1 P14902 2/20 0.39
TDO2 P48775 2/20 0.39
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
MAPK14 Q16539 4/20 0.38
GCGR P47871 1/20 0.38
DPP4 P27487 2/20 0.37
DPP8 Q6V1X1 1/20 0.37
MAPKAPK2 P49137 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35

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
SCHEMBL2789136 0.82 LTA4H (0.42) USP2RAB9ALTA4HCYP19A1CYP11B1
SCHEMBL7216749 0.81 LOXL2 (0.38) USP2RAB9ALTA4HCYP19A1IDO1
SCHEMBL7220974 0.78 DPP4 (0.38) USP2RAB9ALTA4HCYP19A1IDO1
SCHEMBL8919343 0.77 USP2 (0.39) USP2RAB9ALTA4HCYP19A1CYP11B1
SCHEMBL7221278 0.75 KMT2A (0.35) USP2RAB9ALTA4HCYP19A1CYP11B1
SCHEMBL23882924 0.74 CYP19A1 (0.59) USP2RAB9ALTA4HCYP19A1CYP11B1
SCHEMBL29173225 0.74 MAPKAPK2 (0.45) USP2RAB9ALTA4HCYP19A1MAPK14
SCHEMBL3061844 0.74 USP2 (0.47) USP2RAB9ALTA4HCYP19A1CYP11B1
SCHEMBL30599784 0.74 CYP19A1 (0.45) USP2RAB9ALTA4HCYP19A1CYP11B1
SCHEMBL11196968 0.74 CYP19A1 (0.59) USP2RAB9ALTA4HCYP19A1CYP11B1

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
US-6630485-B2 For therapy of inflammatory disease SYNTEX (U.S.A.) LLC 2003-10-07 US disclosed
US-6479507-B2 MODULATION OF THESE INFLAMMATORY CYTOKINES IS CONSIDERED ONE OF THE MOST EFFECTIVE STRATEGIES TO BLOCK CHRONIC INFLAMMATION AND HAVE POSITIVE THERAPEUTIC OUTCOMES SYNTEX (U.S.A.) LLC 2002-11-12 US disclosed
US-6316464-B1 P38 MAP kinase inhibitors SYNTEX (U.S.A.) LLC 2001-11-13 US disclosed