SCHEMBL19890397

SCHEMBL19890397

CCN(CC)c1ccc2c(-c3ccc(C(=O)N[C@H]4CC[C@H](NC(=O)c5ccc(C(=O)O)c(-c6c7ccc(=O)cc-7oc7cc(O)ccc67)c5)CC4)cc3S)c3ccc(=[N+](CC)CC)cc-3oc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 2/20 0.43
▸ TGM2 P21980 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ PPARG P37231 1/20 0.43
▸ BLM P54132 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ NCOR2 Q9Y618 1/20 0.43
▸ ALB P02768 1/20 0.42
▸ DNASE1L3 Q13609 1/20 0.41
▸ PRMT1 Q99873 1/20 0.41
▸ AVPR2 P30518 3/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ HTRA2 O43464 2/20 0.40
▸ HTRA1 Q92743 2/20 0.40
▸ CHRM1 P11229 1/20 0.40
▸ APLNR P35414 1/20 0.40
▸ CA9 Q16790 1/20 0.39
▸ FPR2 P25090 2/20 0.39

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
SCHEMBL19890403 0.96 TGM2 (0.45) USP2TGM2MEN1POLBPPARG
SCHEMBL29894892 0.89 TGM2 (0.46) USP2TGM2MEN1POLBPPARG
SCHEMBL19890460 0.87 TGM2 (0.43) USP2TGM2MEN1POLBPPARG
SCHEMBL19890512 0.86 CA9 (0.42) USP2TGM2MEN1POLBPPARG
SCHEMBL13058001 0.85 ALDH1A1 (0.46) USP2MEN1POLBKMT2AALB
SCHEMBL19890514 0.84 TGM2 (0.41) USP2TGM2MEN1POLBPPARG
SCHEMBL19890416 0.84 TGM2 (0.41) USP2TGM2MEN1POLBPPARG
SCHEMBL19890396 0.80 TGM2 (0.41) USP2TGM2MEN1POLBPPARG
SCHEMBL19886588 0.78 USP2 (0.56) USP2MEN1POLBKMT2AALB
SCHEMBL19890418 0.76 MEN1 (0.39) USP2TGM2MEN1POLBPPARG

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
US-20180052105-A1 SULFANE SULFUR-SELECTIVE FLUORESCENT PROBE THE UNIVERSITY OF TOKYO (JP) 2018-02-22 — — US disclosed
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