SCHEMBL21760947

SCHEMBL21760947

O=S(=O)(N[C@H]1CC[C@@H](O)CC1)c1cc(Br)ccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.48
ALDH1A1 P00352 2/20 0.48
BRD4 O60885 1/20 0.43
CTSL P07711 2/20 0.43
CTSS P25774 2/20 0.43
CTSK P43235 2/20 0.43
CTSB P07858 1/20 0.43
HTT P42858 2/20 0.42
MAPK1 P28482 2/20 0.42
GSTO1 P78417 1/20 0.41
MAPT P10636 2/20 0.41
TP53 P04637 2/20 0.39
LMNA P02545 2/20 0.39
CTSC P53634 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
PKM P14618 1/20 0.38
ALOX15 P16050 1/20 0.38
HDAC8 Q9BY41 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
SCHEMBL3410369 1.00 L3MBTL1 (0.48) L3MBTL1ALDH1A1BRD4CTSLCTSS
SCHEMBL3637450 0.95 L3MBTL1 (0.44) L3MBTL1ALDH1A1BRD4CTSLCTSS
SCHEMBL2195060 0.89 L3MBTL1 (0.48) L3MBTL1ALDH1A1CTSLCTSSCTSK
SCHEMBL2195057 0.89 L3MBTL1 (0.48) L3MBTL1ALDH1A1CTSLCTSSCTSK
SCHEMBL2875807 0.86 ALDH1A1 (0.61) L3MBTL1ALDH1A1BRD4HTTMAPK1
SCHEMBL21760794 0.83 TP53 (0.55) BRD4CTSLCTSSCTSKCTSB
SCHEMBL4618795 0.83 GSTO1 (0.52) L3MBTL1ALDH1A1BRD4CTSLCTSS
SCHEMBL23585396 0.80 CTSL (0.48) L3MBTL1ALDH1A1CTSLCTSSCTSK
SCHEMBL21760617 0.80 L3MBTL1 (0.64) L3MBTL1ALDH1A1BRD4TP53SMN1; SMN2
SCHEMBL21761108 0.80 CTSL (0.48) L3MBTL1ALDH1A1CTSLCTSSCTSK

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
EP-3842439-A1 BICYCLIC HETEROAROMATIC RING DERIVATIVE Kyorin Pharmaceutical Co., Ltd. (JP) 2021-06-30 EP disclosed
WO-2020040104-A1 BICYCLIC HETEROAROMATIC RING DERIVATIVE 杏林製薬株式会社 2020-02-27 WO disclosed