SCHEMBL16148352

SCHEMBL16148352

O=C(OCl)c1ccc(NC(=O)c2cc(C(F)(F)F)ccc2O)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS4 Q9NRS4 13/20 0.63
▸ P2RX1 P51575 9/20 0.63
▸ P2RX4 Q99571 3/20 0.63
▸ P2RX7 Q99572 3/20 0.63
▸ TRPV1 Q8NER1 1/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ IKBKB O14920 1/20 0.53
▸ CHUK O15111 1/20 0.53
▸ KDR P35968 1/20 0.53
▸ FLT3 P36888 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ MYLK Q15746 1/20 0.53
▸ MAP4K5 Q9Y4K4 1/20 0.53
▸ SLC2A1 P11166 1/20 0.53
▸ JAK2 O60674 1/20 0.49
▸ JAK1 P23458 1/20 0.49
▸ TYK2 P29597 1/20 0.49
▸ PLG P00747 1/20 0.47
▸ KLKB1 P03952 1/20 0.47
▸ KLK1 P06870 1/20 0.47

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
SCHEMBL17498479 0.89 TMPRSS4 (0.61) TMPRSS4P2RX1P2RX4P2RX7TRPV1
SCHEMBL28199416 0.80 P2RX1 (0.68) TMPRSS4P2RX1P2RX4P2RX7MEN1
SCHEMBL16147304 0.79 PLAU (0.70) TMPRSS4P2RX1MEN1KMT2ATYK2
SCHEMBL130439 0.78 P2RX1 (0.81) TMPRSS4P2RX1P2RX4P2RX7MEN1
SCHEMBL3497954 0.78 TMPRSS4 (0.64) TMPRSS4P2RX1P2RX4P2RX7TRPV1
SCHEMBL29617517 0.78 TMPRSS4 (1.00) TMPRSS4P2RX1P2RX4P2RX7MEN1
SCHEMBL331631 0.78 TMPRSS4 (1.00) TMPRSS4P2RX1P2RX4P2RX7MEN1
SCHEMBL16148438 0.77 PLG (0.65) TMPRSS4P2RX1P2RX4P2RX7TRPV1
SCHEMBL7511475 0.77 TMPRSS4 (0.62) TMPRSS4P2RX1P2RX4P2RX7TRPV1
SCHEMBL24824532 0.76 P2RX1 (0.79) TMPRSS4P2RX1P2RX4P2RX7MEN1

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
WO-2014165816-A1 COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC DISORDERS AND SYNTHESIS OF THE SAME NORTH CAROLINA CENTRAL UNIVERSITY (US) 2014-10-09 — — WO disclosed
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