SCHEMBL24327526

SCHEMBL24327526

O=C1C(Cl)=C(Nc2cccc(C(F)(F)F)c2)C(=O)c2c(O)ccc(O)c21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 1/20 0.54
▸ STK10 O94804 1/20 0.49
▸ SLK Q9H2G2 1/20 0.49
▸ P2RX1 P51575 2/20 0.49
▸ SLC2A1 P11166 1/20 0.49
▸ P2RX4 Q99571 1/20 0.49
▸ P2RX7 Q99572 1/20 0.49
▸ TMPRSS4 Q9NRS4 1/20 0.49
▸ ADORA2A P29274 1/20 0.49
▸ NTRK1 P04629 1/20 0.48
▸ CDK19 Q9BWU1 1/20 0.48
▸ MPO P05164 1/20 0.46
▸ KIF11 P52732 2/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ YAP1 P46937 1/20 0.43
▸ TEAD4 Q15561 1/20 0.43
▸ TEAD2 Q15562 1/20 0.43
▸ MAPT P10636 3/20 0.43

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
SCHEMBL13417404 0.86 ADORA2A (0.58) DHODHSTK10SLKADORA2AMPO
SCHEMBL24327528 0.83 AKT1 (0.52) P2RX1P2RX4P2RX7TMPRSS4KIF11
SCHEMBL24327488 0.82 DHODH (0.54) DHODHSTK10SLKP2RX1P2RX4
SCHEMBL24327533 0.80 MAPT (0.44) DHODHMEN1KMT2AALDH1A1MAPT
SCHEMBL11220891 0.78 MAPT (0.59) DHODHSTK10SLKMEN1KMT2A
SCHEMBL24327490 0.73 PGR (0.53) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL13961430 0.73 ADORA2A (0.45) DHODHSTK10SLKADORA2AMPO
SCHEMBL12283415 0.72 MAPT (0.61) DHODHSTK10SLKMEN1KMT2A
SCHEMBL24327496 0.72 ALDH1A1 (0.56) DHODHMEN1KMT2AALDH1A1CYP1A2
SCHEMBL24327534 0.71 FFAR1 (0.41) P2RX1KDM4E

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-2022081984-A1 METHODS AND COMPOUNDS TO TREAT SARS INFECTIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-04-21 — — WO disclosed
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