SCHEMBL1908774

SCHEMBL1908774

C#Cc1ccc(NC(=O)N[C@@H]2CCN(C)C2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.46
USP30 Q70CQ3 2/20 0.43
EPHX2 P34913 4/20 0.42
ATM Q13315 1/20 0.42
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CTSS P25774 1/20 0.42
CTSC P53634 1/20 0.42
RECQL P46063 1/20 0.42
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA4 P22748 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SSTR1 P30872 1/20 0.41
SSTR4 P31391 1/20 0.41
PAK1 Q13153 1/20 0.40

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
SCHEMBL1908720 0.89 USP30 (0.48) MAPK1USP30EPHX2ATMCTSL
SCHEMBL12086274 0.82 USP30 (0.50) USP30EPHX2CTSLCTSBCTSS
SCHEMBL1908734 0.81 MEN1 (0.51) MAPK1EPHX2MEN1KMT2APAK1
SCHEMBL1911231 0.76 EPHX2 (0.62) USP30EPHX2CTSLCTSBCTSS
SCHEMBL354641 0.76 EPHX2 (0.66) EPHX2CTSLCTSBCTSSCTSC
SCHEMBL359333 0.76 EPHX2 (0.66) EPHX2CTSLCTSBCTSSCTSC
SCHEMBL358834 0.76 EPHX2 (0.66) EPHX2CTSLCTSBCTSSCTSC
SCHEMBL24381758 0.75 MEN1 (0.67) USP30EPHX2CTSLCTSBCTSS
SCHEMBL1908655 0.75 EPHX1 (0.61) MAPK1USP30EPHX2CTSLCTSB
SCHEMBL356730 0.75 CTSL (0.65) USP30EPHX2CTSLCTSBCTSS

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-8114877-B2 Antiinflammatory agnets; chronic obstructive pulmonary diseases NOVARTIS AG (CH) 2012-02-14 US disclosed