SCHEMBL19890403

SCHEMBL19890403

CCN(CC)c1ccc2c(-c3ccc(C(=O)NC4CCC(NC(=O)c5ccc(-c6c7ccc(=O)cc-7oc7cc(O)ccc67)c(C(=O)O)c5)CC4)cc3S)c3ccc(=[N+](CC)CC)cc-3oc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 1/20 0.45
▸ USP2 O75604 2/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ PPARG P37231 1/20 0.44
▸ BLM P54132 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ NCOR2 Q9Y618 1/20 0.44
▸ FOLH1 Q04609 2/20 0.42
▸ ALB P02768 1/20 0.41
▸ AVPR2 P30518 2/20 0.41
▸ ESR1 P03372 1/20 0.41
▸ P2RY6 Q15077 1/20 0.41
▸ APLNR P35414 1/20 0.41
▸ FPR2 P25090 2/20 0.40
▸ CHRM1 P11229 1/20 0.40
▸ SLC5A2 P31639 1/20 0.40

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
SCHEMBL19890397 0.96 USP2 (0.43) TGM2USP2L3MBTL1CA9MEN1
SCHEMBL29894892 0.93 TGM2 (0.46) TGM2USP2CA9MEN1POLB
SCHEMBL19890460 0.91 TGM2 (0.43) TGM2USP2L3MBTL1CA9MEN1
SCHEMBL19890512 0.90 CA9 (0.42) TGM2USP2L3MBTL1CA9MEN1
SCHEMBL19890416 0.88 TGM2 (0.41) TGM2USP2L3MBTL1CA9MEN1
SCHEMBL19890514 0.88 TGM2 (0.41) TGM2USP2L3MBTL1CA9MEN1
SCHEMBL19890396 0.84 TGM2 (0.41) TGM2USP2MEN1POLBPPARG
SCHEMBL16253380 0.81 MEN1 (0.60) TGM2USP2L3MBTL1CA9MEN1
SCHEMBL13058001 0.80 ALDH1A1 (0.46) USP2L3MBTL1CA9MEN1POLB
SCHEMBL19890380 0.78 USP2 (0.62) USP2L3MBTL1CA9MEN1POLB

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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