SCHEMBL30697245

SCHEMBL30697245

O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(Cl)c(Cl)c1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 3/20 0.58
P2RX4 Q99571 3/20 0.58
P2RX7 Q99572 3/20 0.58
TMPRSS4 Q9NRS4 2/20 0.58
PTGS1 P23219 1/20 0.54
TBXAS1 P24557 1/20 0.54
MAPK1 P28482 1/20 0.54
PTGS2 P35354 1/20 0.54
MAPK14 Q16539 1/20 0.54
FADS1 O60427 1/20 0.53
P2RY1 P47900 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
DHODH Q02127 1/20 0.47
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL6252378 1.00 P2RX1 (0.58) P2RX1P2RX4P2RX7TMPRSS4PTGS1
SCHEMBL11791152 0.82 P2RX1 (0.55) P2RX1P2RX4P2RX7TMPRSS4PTGS1
SCHEMBL28091035 0.82 GPR27 (0.57) TMPRSS4MAPK1NPC1RAB9AMEN1
SCHEMBL6891415 0.81 P2RX1 (0.68) P2RX1P2RX4P2RX7TMPRSS4PTGS1
SCHEMBL14000601 0.78 P2RX1 (0.48) P2RX1P2RX4P2RX7TMPRSS4PTGS1
SCHEMBL330564 0.77 P2RX1 (0.76) P2RX1P2RX4P2RX7TMPRSS4FADS1
SCHEMBL28596892 0.75 FADS1 (0.71) P2RX1P2RX4P2RX7TMPRSS4MAPK1
SCHEMBL330755 0.73 FADS1 (0.77) P2RX1P2RX4P2RX7TMPRSS4FADS1
SCHEMBL332057 0.73 P2RX1 (1.00) P2RX1P2RX4P2RX7TMPRSS4MEN1
SCHEMBL11798950 0.72 TMPRSS4 (0.51) P2RX1P2RX4P2RX7TMPRSS4PTGS1

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
WO-2025038563-A1 SYSTEMS AND METHODS FOR COLD HYPERSENSITIVITY ASSESSMENTS AS AN INDICATOR FOR CIPN WASHINGTON UNIVERSITY (US) 2025-02-20 WO disclosed
CN-117512016-A Method for constructing COL3A1 transgenic zebra fish as carrier to express human type III collagen 福州大学 2024-02-06 CN disclosed