SCHEMBL24438367

SCHEMBL24438367

O=C(Nc1ccc(CCc2ccccc2)cc1)c1cc(Cl)ccc1O

nearest known ligand 0.76

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TMPRSS4 Q9NRS4 5/20 0.76
P2RX1 P51575 7/20 0.71
ALOX15 P16050 6/20 0.67
MEN1 O00255 1/20 0.63
KMT2A Q03164 1/20 0.63
P2RX4 Q99571 4/20 0.62
P2RX7 Q99572 4/20 0.62
KCNMA1 Q12791 2/20 0.60
KLKB1 P03952 1/20 0.56

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
SCHEMBL24438034 0.92 TMPRSS4 (0.76) TMPRSS4P2RX1ALOX15MEN1KMT2A
SCHEMBL538439 0.87 TMPRSS4 (1.00) TMPRSS4P2RX1MEN1KMT2AP2RX4
SCHEMBL13812609 0.87 TMPRSS4 (0.64) TMPRSS4P2RX1ALOX15MEN1KMT2A
SCHEMBL13593307 0.86 P2RX1 (0.66) TMPRSS4P2RX1ALOX15MEN1KMT2A
SCHEMBL29024720 0.85 TMPRSS4 (0.83) TMPRSS4P2RX1MEN1KMT2AP2RX4
SCHEMBL2169619 0.84 P2RX1 (1.00) TMPRSS4P2RX1MEN1KMT2AP2RX4
SCHEMBL29454776 0.84 P2RX1 (1.00) TMPRSS4P2RX1MEN1KMT2AP2RX4
SCHEMBL24438058 0.84 TMPRSS4 (0.67) TMPRSS4P2RX1P2RX4P2RX7KCNMA1
SCHEMBL27764935 0.83 KLKB1 (0.80) TMPRSS4P2RX1ALOX15P2RX4P2RX7
SCHEMBL18341403 0.83 TMPRSS4 (0.86) TMPRSS4P2RX1ALOX15P2RX4P2RX7

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-2022103572-A1 COMPOUNDS AND METHODS OF INHIBITING BACTERIAL CHAPERONIN SYSTEMS THE TRUSTEES OF INDIANA UNIVERSITY (US) 2022-05-19 WO disclosed