SCHEMBL24327928

SCHEMBL24327928

O=C1C(Cl)=C(NCc2ccccc2)C(=O)c2c(O)ccc(O)c21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HKDC1 Q2TB90 3/20 0.49
▸ NSD2 O96028 2/20 0.49
▸ HSP90AA1 P07900 1/20 0.49
▸ G6PD P11413 1/20 0.49
▸ CCR6 P51684 1/20 0.49
▸ TLR9 Q9NR96 1/20 0.49
▸ KMT2A Q03164 3/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ APAF1 O14727 1/20 0.47
▸ HK1 P19367 1/20 0.47
▸ CDC25A P30304 6/20 0.44
▸ CDC25B P30305 3/20 0.44
▸ IDO1 P14902 1/20 0.43
▸ MAPT P10636 6/20 0.42
▸ LMNA P02545 3/20 0.42
▸ HTT P42858 2/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ MAOA P21397 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.40
▸ CA1 P00915 3/20 0.40

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
SCHEMBL24328014 0.85 OXTR (0.42) HKDC1KMT2ARAB9AAPAF1HK1
SCHEMBL9750769 0.84 HKDC1 (0.60) HKDC1NSD2HSP90AA1G6PDCCR6
SCHEMBL24327531 0.82 MAPT (0.47) KMT2ARAB9AMAPTHTTMEN1
SCHEMBL24327534 0.82 FFAR1 (0.41) CA1CA2CA12KDM4E
SCHEMBL24327491 0.81 GAA (0.54) KMT2AMAPTLMNAHTTMEN1
SCHEMBL2466820 0.78 NSD2 (0.71) HKDC1NSD2HSP90AA1G6PDCCR6
SCHEMBL11220891 0.78 MAPT (0.59) HKDC1NSD2CCR6KMT2ARAB9A
SCHEMBL24327493 0.74 CDC25A (0.42) HKDC1NSD2HSP90AA1G6PDCCR6
SCHEMBL24327529 0.74 MAPT (0.47) HKDC1NSD2HSP90AA1G6PDCCR6
SCHEMBL24327930 0.73 MAPT (0.46) NSD2HSP90AA1RAB9AAPAF1CDC25A

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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