SCHEMBL21376522

SCHEMBL21376522

O=Cc1cccc(SN2CCc3ccccc32)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.38
MAPT P10636 6/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
KDM4E B2RXH2 1/20 0.38
STAT1 P42224 1/20 0.38
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
USP2 O75604 1/20 0.35
CDK4 P11802 1/20 0.35
ALOX15 P16050 1/20 0.35
CCND1 P24385 1/20 0.35
NOTUM Q6P988 1/20 0.35
GAA P10253 4/20 0.35
HPGD P15428 2/20 0.35
TSHR P16473 2/20 0.34
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL21376579 0.92 MEN1 (0.42) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL21376787 0.77 AKR1C3 (0.53) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL23677186 0.73 ALDH1A1 (0.61) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL18003041 0.72 ALDH1A1 (0.45) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL21376788 0.70 AKR1C3 (0.54) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL17969050 0.69 ALDH1A1 (0.49) ALDH1A1MAPTNPC1RAB9AKDM4E
SCHEMBL15651011 0.69 GAA (0.67) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL21376815 0.69 ALDH1A1 (0.38) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL21376928 0.68 L3MBTL1 (0.61) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL24286547 0.68 CYP3A4 (0.41) ALDH1A1SMN1; SMN2KDM4EGAALMNA

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-3626240-A1 PROCESS OF PREPARATION OF A N-ARYL BENZYL SULFONAMIDE SUBSTITUTED WITH AN AMIDO GROUP StemSynergy Therapeutics, Inc. (US) 2020-03-25 EP disclosed
EP-2403499-B1 METHODS AND COMPOSITIONS FOR USE IN TREATING CANCER AND REDUCING WNT MEDIATED EFFECTS IN A CELL STEMSYNERGY THERAPEUTICS INC (US) 2019-09-18 EP disclosed