SCHEMBL19890512

SCHEMBL19890512

CCN(CC)c1ccc2c(-c3ccc(C(=O)N[C@H]4CC[C@H](NC(=O)c5ccc(-c6c7ccc(=O)cc-7oc7cc(O)ccc67)c(C(=O)O)c5)CC4)cc3SSC)c3ccc(=[N+](CC)CC)cc-3oc2c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 1/20 0.42
▸ USP2 O75604 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ TGM2 P21980 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ PPARG P37231 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ NCOR2 Q9Y618 1/20 0.42
▸ FOLH1 Q04609 2/20 0.40
▸ ALB P02768 1/20 0.40
▸ ESR1 P03372 1/20 0.40
▸ FPR2 P25090 2/20 0.39
▸ AVPR2 P30518 2/20 0.39
▸ APLNR P35414 1/20 0.39
▸ SLC5A2 P31639 2/20 0.38
▸ P2RY6 Q15077 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
SCHEMBL19890403 0.90 TGM2 (0.45) CA9USP2L3MBTL1TGM2MEN1
SCHEMBL19890514 0.90 TGM2 (0.41) CA9USP2L3MBTL1TGM2MEN1
SCHEMBL19890416 0.90 TGM2 (0.41) CA9USP2L3MBTL1TGM2MEN1
SCHEMBL19886593 0.87 TGM2 (0.43) USP2TGM2MEN1POLBPPARG
SCHEMBL19890397 0.86 USP2 (0.43) CA9USP2L3MBTL1TGM2MEN1
SCHEMBL19890460 0.85 TGM2 (0.43) CA9USP2L3MBTL1TGM2MEN1
SCHEMBL29894892 0.84 TGM2 (0.46) CA9USP2TGM2MEN1POLB
SCHEMBL19890513 0.82 MEN1 (0.56) USP2TGM2MEN1POLBPPARG
SCHEMBL16253380 0.79 MEN1 (0.60) CA9USP2L3MBTL1TGM2MEN1
SCHEMBL13058001 0.78 ALDH1A1 (0.46) CA9USP2L3MBTL1MEN1POLB

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
Send feedback