SCHEMBL23323385

SCHEMBL23323385

O=c1[nH]c(=S)[nH]cc1CCI

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ KDM3B Q7LBC6 1/20 0.43
▸ MEN1 O00255 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ UBE2N P61088 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ TP53 P04637 1/20 0.32
▸ FFAR3 O14843 1/20 0.30
▸ HCAR2 Q8TDS4 1/20 0.30

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
SCHEMBL3537530 0.81 KMT2A (0.51) KMT2ATDP1KDM3BMEN1RXFP1
SCHEMBL11343851 0.77 KMT2A (0.51) KMT2ATDP1KDM3BKDM4EFFAR3
SCHEMBL18640304 0.76 KMT2A (0.50) KMT2ATDP1KDM3BMEN1RXFP1
SCHEMBL21345745 0.76 KMT2A (0.54) KMT2ATDP1KDM3BMEN1RXFP1
SCHEMBL10735494 0.75 KMT2A (0.50) KMT2ATDP1KDM3BKDM4EFFAR3
SCHEMBL11458310 0.75 DAO (0.50) KMT2ATDP1KDM3BMEN1KDM4E
SCHEMBL7007140 0.73 HDAC8 (0.44) KMT2ATDP1KDM3B
SCHEMBL11456064 0.73 DAO (0.44) KMT2ATDP1KDM3BMEN1KDM4E
SCHEMBL10979560 0.73 DAO (0.44) KMT2ATDP1KDM3BMEN1KDM4E
SCHEMBL153562 0.72 KMT2A (0.50) KMT2ATDP1KDM3BUBE2NKDM4E

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-2021087408-A1 OTIC FORMULATIONS FOR DRUG-INDUCED OTOTOXICITY OTONOMY, INC. (US) 2021-05-06 — — WO disclosed
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