SCHEMBL23323360

SCHEMBL23323360

O=c1ccn(CCI)c(=S)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
PKM P14618 1/20 0.36
DUT P33316 8/20 0.35
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
DDB1 Q16531 1/20 0.32

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
SCHEMBL11581000 0.81 ALDH1A1 (0.43) CRBNL3MBTL1PKMDUTALDH1A1
SCHEMBL41240 0.81 PKM (0.42) CRBNL3MBTL1PKMDUT
SCHEMBL11546247 0.79 DUT (0.41) CRBNPKMDUT
SCHEMBL5792152 0.79 CRBN (0.42) CRBNL3MBTL1PKMDUTALDH1A1
SCHEMBL6425133 0.77 L3MBTL1 (0.43) CRBNL3MBTL1PKMDUTALDH1A1
SCHEMBL16671885 0.77 HTT (0.41) CRBNPKMDUT
SCHEMBL11580831 0.76 GPR84 (0.41) DUT
SCHEMBL11583672 0.75 PKM (0.44) CRBNL3MBTL1PKMDUTALDH1A1
SCHEMBL9426408 0.73 ALDH1A1 (0.40) PKMDUTALDH1A1
SCHEMBL1673256 0.73 KMT2A (0.42) L3MBTL1PKMDUTALDH1A1LMNA

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