SCHEMBL21394488

SCHEMBL21394488

CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cc3cccc(F)c3)cn2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
POLB P06746 1/20 0.48
KMT2A Q03164 1/20 0.48
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
PKM P14618 1/20 0.47
TSHR P16473 1/20 0.47
KDM4E B2RXH2 3/20 0.46
DEGS1 O15121 1/20 0.44
ADORA3 P0DMS8 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA2B P29275 1/20 0.43
ADORA1 P30542 1/20 0.43
HPGD P15428 1/20 0.43
CXCR2 P25025 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.42
F10 P00742 1/20 0.42
SNCA P37840 1/20 0.42

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
SCHEMBL21394497 0.91 NPC1 (0.52) MEN1POLBKMT2ANPC1RAB9A
SCHEMBL21394696 0.84 RAB9A (0.52) MEN1POLBKMT2ANPC1RAB9A
SCHEMBL21394763 0.83 NPC1 (0.51) MEN1POLBKMT2ANPC1RAB9A
SCHEMBL29355382 0.83 NPC1 (0.51) MEN1POLBKMT2ANPC1RAB9A
SCHEMBL21395214 0.82 DEGS1 (0.53) MEN1POLBKMT2ANPC1RAB9A
SCHEMBL21394946 0.80 GRM5 (0.47) MEN1POLBKMT2ANPC1RAB9A
SCHEMBL21394624 0.80 NPC1 (0.48) MEN1POLBKMT2ANPC1RAB9A
SCHEMBL29358776 0.80 NPC1 (0.48) MEN1POLBKMT2ANPC1RAB9A
SCHEMBL21394854 0.80 WNT3A (0.52) MEN1POLBKMT2ANPC1RAB9A
SCHEMBL29359193 0.80 WNT3A (0.52) MEN1POLBKMT2ANPC1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020198026-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-10-01 WO disclosed
WO-2019183587-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2019-09-26 WO disclosed