SCHEMBL24791786

SCHEMBL24791786

O=C(Cc1ccccc1)OC[C@H]1OC(c2ccc3c(NC(=O)c4ccccc4)ncnn23)[C@H](O)[C@@H]1O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.39
▸ P2RY6 Q15077 2/20 0.35
▸ P2RY14 Q15391 2/20 0.35
▸ NT5E P21589 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MGLL Q99685 2/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ MARS1 P56192 2/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ DNPH1 O43598 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ IARS1 P41252 1/20 0.33

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
SCHEMBL16708473 0.85 TMPRSS2 (0.49) TMPRSS2TDP1ADORA1
SCHEMBL16708472 0.84 TMPRSS2 (0.42) TMPRSS2P2RY6P2RY14NT5EALDH1A1
SCHEMBL24789732 0.80 TMPRSS2 (0.45) TMPRSS2ALDH1A1TSHRMGLLTDP1
SCHEMBL24917272 0.80 TMPRSS2 (0.43) TMPRSS2ALDH1A1TSHRMGLLTDP1
SCHEMBL24917594 0.79 TMPRSS2 (0.61) TMPRSS2ALDH1A1TSHRMGLLTDP1
SCHEMBL25917189 0.78 TMPRSS2 (0.35) TMPRSS2P2RY6P2RY14NT5EALDH1A1
SCHEMBL25912544 0.77 TMPRSS2 (0.43) TMPRSS2TDP1ADORA1POLB
SCHEMBL16708477 0.77 TMPRSS2 (0.47) TMPRSS2TDP1ADORA1POLB
SCHEMBL19101893 0.76 BCHE (0.40) TMPRSS2NT5E
SCHEMBL16708509 0.76 TMPRSS2 (0.41) TMPRSS2P2RY6P2RY14NT5EALDH1A1

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-2022265964-A1 ORALLY-BIOAVAILABLE NUCLEOSIDE ANALOGS VenatoRx Pharmaceuticals, Inc. (US) 2022-12-22 — — WO disclosed
Send feedback