SCHEMBL24327488

SCHEMBL24327488

O=C1C(Cl)=C(Nc2cccc(Cl)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
▸ P2RX1 P51575 1/20 0.46
▸ P2RX4 Q99571 1/20 0.46
▸ P2RX7 Q99572 1/20 0.46
▸ HTT P42858 6/20 0.45
▸ MAPT P10636 5/20 0.45
▸ MEN1 O00255 4/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ RAB9A P51151 4/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ MAPK1 P28482 3/20 0.45
▸ NPSR1 Q6W5P4 3/20 0.45
▸ ATM Q13315 2/20 0.45
▸ MAP2K7 O14733 1/20 0.45
▸ NSD2 O96028 1/20 0.45
▸ CDC25A P30304 1/20 0.45
▸ CDC25B P30305 1/20 0.45
▸ MCL1 Q07820 1/20 0.45
▸ GSK3B P49841 5/20 0.44
▸ STK10 O94804 1/20 0.44

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
SCHEMBL24327496 0.88 ALDH1A1 (0.56) DHODHHTTMEN1KMT2AALDH1A1
SCHEMBL24327533 0.85 MAPT (0.44) DHODHHTTMAPTMEN1KMT2A
SCHEMBL11220891 0.84 MAPT (0.59) DHODHHTTMAPTMEN1KMT2A
SCHEMBL24327526 0.82 DHODH (0.54) DHODHP2RX1P2RX4P2RX7HTT
SCHEMBL24327490 0.79 PGR (0.53) HTTMAPTMEN1KMT2ARAB9A
SCHEMBL12283415 0.78 MAPT (0.61) DHODHHTTMAPTMEN1KMT2A
SCHEMBL24327929 0.76 MAPT (0.51) DHODHHTTMAPTMEN1KMT2A
SCHEMBL24328015 0.75 TOP2A (0.48) DHODHHTTMAPTMEN1KMT2A
SCHEMBL15906860 0.75 MAPT (0.58) HTTMAPTMEN1KMT2ARAB9A
SCHEMBL24327530 0.72 FADS1 (0.42) DHODHHTTMAPTMEN1KMT2A

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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