SCHEMBL21458107

SCHEMBL21458107

Cc1ccccc1S(=O)(=O)O.Cc1sc2ncnc(NC3CCN(Cc4ccccc4)C3)c2c1C

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.70
HTT P42858 3/20 0.70
RAB9A P51151 2/20 0.70
RXFP1 Q9HBX9 2/20 0.70
SMN1; SMN2 Q16637 2/20 0.70
KMT2A Q03164 2/20 0.70
MAPK1 P28482 2/20 0.70
LMNA P02545 1/20 0.54
NOD2 Q9HC29 1/20 0.54
DRD4 P21917 1/20 0.48
SCN1A P35498 6/20 0.46
SCN8A Q9UQD0 6/20 0.46
MAPT P10636 2/20 0.45
IRAK4 Q9NWZ3 1/20 0.42
CYP3A4 P08684 1/20 0.41
BTK Q06187 1/20 0.40
HPGD P15428 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
SCHEMBL21458102 0.89 MEN1 (0.88) MEN1HTTRAB9ARXFP1SMN1; SMN2
SCHEMBL21458101 0.89 MEN1 (0.88) MEN1HTTRAB9ARXFP1SMN1; SMN2
SCHEMBL21458104 0.89 MEN1 (0.88) MEN1HTTRAB9ARXFP1SMN1; SMN2
SCHEMBL12790000 0.83 MEN1 (1.00) MEN1HTTRAB9ARXFP1SMN1; SMN2
SCHEMBL18962385 0.72 MEN1 (0.72) MEN1HTTRAB9ARXFP1SMN1; SMN2
SCHEMBL5744517 0.71 ALDH1A1 (0.56) MEN1RAB9ASMN1; SMN2KMT2A
SCHEMBL16090511 0.71 MEN1 (0.74) MEN1HTTRAB9ARXFP1SMN1; SMN2
SCHEMBL1604026 0.70 LMNA (1.00) MEN1HTTRAB9ARXFP1SMN1; SMN2
SCHEMBL19317179 0.70 MEN1 (0.67) MEN1HTTRAB9ARXFP1SMN1; SMN2
SCHEMBL12533520 0.69 MEN1 (0.66) MEN1HTTRAB9ARXFP1SMN1; SMN2

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
US-10966981-B2 Fatty acid synthase inhibitors DUKE UNIVERSITY (US) 2021-04-06 US disclosed
US-20190314376-A1 FATTY ACID SYNTHASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-10-17 US disclosed