SCHEMBL24327495

SCHEMBL24327495

O=C1C(Cl)=C(NCCc2ccc(Br)cc2)C(=O)c2c(O)ccc(O)c21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NSD2 O96028 1/20 0.49
▸ HSP90AA1 P07900 1/20 0.49
▸ G6PD P11413 1/20 0.49
▸ CCR6 P51684 1/20 0.49
▸ HKDC1 Q2TB90 1/20 0.49
▸ TLR9 Q9NR96 1/20 0.49
▸ GPR84 Q9NQS5 1/20 0.44
▸ CNR1 P21554 1/20 0.40
▸ TAAR1 Q96RJ0 1/20 0.39
▸ CA12 O43570 2/20 0.39
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ CA9 Q16790 2/20 0.39
▸ CA4 P22748 1/20 0.39
▸ CDC25A P30304 3/20 0.38
▸ POLB P06746 2/20 0.38
▸ GRK2 P25098 2/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ MTOR P42345 1/20 0.38

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
SCHEMBL24328015 0.78 TOP2A (0.48) NSD2HSP90AA1HKDC1CA1CA2
SCHEMBL24327493 0.74 CDC25A (0.42) NSD2HSP90AA1G6PDCCR6HKDC1
SCHEMBL24327529 0.74 MAPT (0.47) NSD2HSP90AA1G6PDCCR6HKDC1
SCHEMBL24328014 0.73 OXTR (0.42) HKDC1CDC25APOLBKMT2ARAB9A
SCHEMBL24327930 0.72 MAPT (0.46) NSD2HSP90AA1GPR84CDC25APOLB
SCHEMBL24327928 0.72 HKDC1 (0.49) NSD2HSP90AA1G6PDCCR6HKDC1
SCHEMBL24327487 0.71 CDC25A (0.46) NSD2HSP90AA1GPR84CDC25ANPC1
SCHEMBL24327527 0.71 CDC25A (0.46) NSD2HSP90AA1GPR84CDC25ANPC1
SCHEMBL24327489 0.71 CDC25A (0.40) NSD2HSP90AA1G6PDCCR6HKDC1
SCHEMBL24327927 0.71 CDC25A (0.46) NSD2HSP90AA1GPR84CDC25ANPC1

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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