SCHEMBL19333353

SCHEMBL19333353

CC(C)c1ccccc1NS(=O)(=O)CC(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.60
POLB P06746 1/20 0.55
NPC1 O15118 1/20 0.49
PSIP1 O75475 1/20 0.44
CA12 O43570 4/20 0.39
CA1 P00915 4/20 0.39
CA2 P00918 4/20 0.39
CA9 Q16790 4/20 0.39
RECQL P46063 1/20 0.38
PTGES2 Q9H7Z7 1/20 0.38
ADRA2A P08913 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NLRP3 Q96P20 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD11B1 P28845 1/20 0.37

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
SCHEMBL17914522 0.83 L3MBTL1 (0.68) L3MBTL1POLBNPC1PSIP1CA12
SCHEMBL17917627 0.80 PSIP1 (0.46) PSIP1ADRA2AKMT2A
SCHEMBL13129161 0.80 L3MBTL1 (0.64) L3MBTL1POLBNPC1CA12CA1
SCHEMBL8170997 0.79 L3MBTL1 (0.62) L3MBTL1POLBNPC1PSIP1NLRP3
SCHEMBL8406220 0.79 PSIP1 (0.49) POLBPSIP1ADRA2ANPSR1KMT2A
SCHEMBL8152754 0.77 KMT2A (0.44) POLBPSIP1CA2PTGES2ADRA2A
SCHEMBL18921155 0.77 PSIP1 (0.42) PSIP1CA1CA2CA9PTGES2
SCHEMBL5607024 0.75 L3MBTL1 (1.00) L3MBTL1POLBNPC1CA12CA1
SCHEMBL21544195 0.74 L3MBTL1 (0.70) L3MBTL1POLBNPC1CA12CA1
SCHEMBL15614459 0.74 L3MBTL1 (0.70) L3MBTL1POLBNPC1CA12CA1

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-9758492-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 US disclosed