SCHEMBL30665186

SCHEMBL30665186

O=C(Nc1ccc(C(F)(F)F)cc1)c1ccccc1O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 3/20 0.75
P2RX4 Q99571 2/20 0.75
P2RX7 Q99572 2/20 0.75
SMN1; SMN2 Q16637 2/20 0.70
PTGS1 P23219 1/20 0.70
NPC1 O15118 4/20 0.68
RAB9A P51151 4/20 0.68
LMNA P02545 3/20 0.68
CRHBP P24387 1/20 0.68
CRHR2 Q13324 1/20 0.68
MEN1 O00255 3/20 0.67
KMT2A Q03164 3/20 0.67
TP53 P04637 2/20 0.67
HTT P42858 2/20 0.67
HSD17B10 Q99714 2/20 0.67
KDM4E B2RXH2 2/20 0.67
HPGD P15428 1/20 0.67
TMPRSS4 Q9NRS4 1/20 0.65
NFKB1 P19838 1/20 0.64
NFKB2 Q00653 1/20 0.64

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
SCHEMBL2698258 1.00 P2RX1 (0.75) P2RX1P2RX4P2RX7SMN1; SMN2PTGS1
SCHEMBL18327174 0.86 LMNA (0.89) SMN1; SMN2NPC1RAB9ALMNAMEN1
SCHEMBL127962 0.86 P2RX1 (1.00) P2RX1P2RX4P2RX7MEN1KMT2A
SCHEMBL12700361 0.84 NPC1 (0.71) SMN1; SMN2PTGS1NPC1RAB9AKDM4E
SCHEMBL2638776 0.84 PTGS1 (0.70) SMN1; SMN2PTGS1NPC1RAB9ALMNA
Salfluverine SCHEMBL2700016 0.83 P2RX1 (1.00) P2RX1P2RX4P2RX7PTGS1TMPRSS4
SCHEMBL1828128 0.83 P2RX1 (0.62) P2RX1P2RX4P2RX7SMN1; SMN2PTGS1
SCHEMBL31092080 0.83 SMN1; SMN2 (1.00) SMN1; SMN2PTGS1NPC1RAB9ALMNA
SCHEMBL29168823 0.83 PTGS1 (0.68) P2RX1P2RX4P2RX7SMN1; SMN2PTGS1
SCHEMBL1963068 0.83 PTGS1 (1.00) P2RX1SMN1; SMN2PTGS1NPC1RAB9A

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
CN-117180260-A Deoxyflavonoid-based T lymphocyte activity inhibition composition 杭州卢特康生物科技有限公司 2023-12-08 CN disclosed