SCHEMBL9322590

SCHEMBL9322590

O=C(Nc1cccc(C(F)(F)F)c1)c1cc2ccccc2cc1O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 2/20 0.73
SLC2A1 P11166 1/20 0.67
P2RX4 Q99571 1/20 0.67
P2RX7 Q99572 1/20 0.67
TMPRSS4 Q9NRS4 1/20 0.67
MAOB P27338 1/20 0.66
AKR1C3 P42330 1/20 0.65
PTGS1 P23219 1/20 0.64
RXFP1 Q9HBX9 10/20 0.62
GRIK1 P39086 1/20 0.60
MAPT P10636 2/20 0.60
MEN1 O00255 2/20 0.60
HTT P42858 2/20 0.60
KMT2A Q03164 2/20 0.60
TNF P01375 1/20 0.60
LMNA P02545 1/20 0.60
POLB P06746 1/20 0.60
POLA1 P09884 1/20 0.60
THRB P10828 1/20 0.60
RAB9A P51151 1/20 0.60

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
SCHEMBL3497353 0.89 P2RX1 (0.72) P2RX1P2RX4P2RX7TMPRSS4MEN1
SCHEMBL7947175 0.89 RXFP1 (0.69) P2RX1SLC2A1P2RX4P2RX7TMPRSS4
SCHEMBL12368137 0.86 NPC1 (0.68) P2RX1P2RX4P2RX7TMPRSS4AKR1C3
Salfluverine SCHEMBL2700016 0.85 P2RX1 (1.00) P2RX1SLC2A1P2RX4P2RX7TMPRSS4
SCHEMBL27652617 0.82 RXFP1 (0.88) P2RX1P2RX4P2RX7MAOBPTGS1
SCHEMBL10863807 0.82 RAB9A (0.64) MAOBAKR1C3MAPTMEN1HTT
SCHEMBL11070985 0.81 SRC (0.83) AKR1C3MAPTMEN1HTTKMT2A
SCHEMBL29890853 0.81 MEN1 (0.77) TMPRSS4MAPTMEN1HTTKMT2A
SCHEMBL57970 0.81 MEN1 (0.77) TMPRSS4MAPTMEN1HTTKMT2A
SCHEMBL30084384 0.81 MEN1 (0.77) TMPRSS4MAPTMEN1HTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989498-B2 Immunosuppressants; autoimmune disease; organs transplantation; antiinflammatory agents; viricides; antiproliferative agents; antitumor, anticancer agents VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-08-02 US disclosed
US-7989498-B2 Immunosuppressants; autoimmune disease; organs transplantation; antiinflammatory agents; viricides; antiproliferative agents; antitumor, anticancer agents VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-08-02 US disclosed
US-7915255-B2 Metabolism-modulating agents and uses therefor VERVA PHARMACEUTICALS PTY LTD (AU) 2011-03-29 US disclosed
US-7915255-B2 Metabolism-modulating agents and uses therefor VERVA PHARMACEUTICALS PTY LTD (AU) 2011-03-29 US disclosed
EP-0322586-B1 Photo-receptor for electrophotography KONISHIROKU PHOTO IND (JP) 1994-11-02 EP disclosed
EP-0356246-B1 Photoreceptor KONISHIROKU PHOTO IND (JP) 1994-02-16 EP disclosed
US-4939058-A Durability KONICA CORPORATION (JP) 1990-07-03 US disclosed
EP-0356246-A2 Photoreceptor KONICA CORPORATION (JP) 1990-02-28 EP disclosed
EP-0322586-A2 Photo-receptor for electrophotography KONICA CORPORATION (JP) 1989-07-05 EP disclosed
US-4631242-A ELECTROCONDUCTIVE SUPPORTS MITSUBISHI PAPER MILLS, LTD. (JP) 1986-12-23 US disclosed