SCHEMBL4719909

SCHEMBL4719909

Cc1cc(-c2cnco2)cc(-c2nn(-c3ccccc3C(F)(F)F)c(=O)c3ncccc23)c1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
ALDH1A1 P00352 2/20 0.34
POLB P06746 2/20 0.33
MEN1 O00255 1/20 0.32
TNF P01375 1/20 0.32
CXCL8 P10145 1/20 0.32
KMT2A Q03164 1/20 0.32
PAX8 Q06710 1/20 0.32
KLF5 Q13887 1/20 0.32
LMNA P02545 2/20 0.31
P2RX7 Q99572 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TACR1 P25103 2/20 0.30
METAP2 P50579 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL4722197 0.90 MEN1 (0.32) TRPV1MEN1KMT2ATACR1
SCHEMBL4723705 0.86 TRPV1 (0.30) TRPV1
SCHEMBL4721659 0.86 RIOK2 (0.35)
SCHEMBL4720084 0.86 NAMPT (0.33) TRPV1ALDH1A1POLBLMNATACR1
SCHEMBL4719259 0.85 L3MBTL1 (0.33) L3MBTL1LMNAPKM
SCHEMBL4719110 0.84 TRPV1 (0.34) TRPV1MEN1KMT2ALMNA
SCHEMBL4722896 0.84 TRPV1 (0.32) TRPV1
SCHEMBL4724242 0.83 SLC40A1 (0.35) TRPV1P2RX7TACR1METAP2
SCHEMBL4720511 0.83 SLC40A1 (0.35) TRPV1P2RX7TACR1METAP2
SCHEMBL4720512 0.83 SLC40A1 (0.35) TRPV1P2RX7TACR1METAP2

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
EP-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed
EP-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed