SCHEMBL7536726

SCHEMBL7536726

CC(=O)NSc1ccc([O])cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 2/20 0.34
MTNR1A P48039 4/20 0.32
MTNR1B P49286 4/20 0.32
ALDH1A1 P00352 3/20 0.31
PLK1 P53350 1/20 0.31
HSD17B10 Q99714 2/20 0.31
PKM P14618 1/20 0.31
ALOX15 P16050 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NAPRT Q6XQN6 1/20 0.31
NFKB1 P19838 1/20 0.31
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
TDP1 Q9NUW8 1/20 0.30
CA12 O43570 1/20 0.30
BRD4 O60885 1/20 0.30

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
SCHEMBL19311702 0.83 TDP1 (0.48) HPGDLMNAGAAALDH1A1PKM
SCHEMBL7536730 0.83 ALDH1A1 (0.48) HPGDL3MBTL1LMNAGAAALDH1A1
SCHEMBL10760727 0.81 MTNR1A (0.31) HPGDL3MBTL1LMNAGAAMTNR1A
SCHEMBL10431593 0.80 MTNR1A (0.48) HPGDL3MBTL1LMNAGAAMTNR1A
Hydrochloric Acid SCHEMBL28845768 0.77 MTNR1A (0.47) HPGDL3MBTL1LMNAGAAMTNR1A
SCHEMBL19632072 0.76 EPHX2 (0.44) LMNAALDH1A1HTTSMN1; SMN2
SCHEMBL24271982 0.74 KMT2A (0.57) LMNAALDH1A1PLK1MEN1KMT2A
SCHEMBL23691981 0.71 TGM2 (0.57) L3MBTL1LMNAGAAALDH1A1HTT
SCHEMBL11768134 0.67 ALDH1A1 (0.44) HPGDL3MBTL1LMNAGAAALDH1A1
SCHEMBL517820 0.65 SMN1; SMN2 (0.70) HPGDL3MBTL1GAAALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1192178-A2 RUFOMYCINS AND DERIVATIVES THEREOF USEFUL AS INHIBITORS OF MULTI-DRUG RESISTANCE ASSOCIATED PROTEIN-1 (MRP-1) ELI LILLY AND COMPANY (US) 2002-04-03 EP claimed
WO-2000078795-A2 RUFOMYCINS AND DERIVATIVES THEREOF USEFUL AS INHIBITORS OF MULTI-DRUG RESISTANCE ASSOCIATED PROTEIN-1 (MRP-1) ELI LILLY AND COMPANY (US) 2000-12-28 WO claimed
US-4101464-A Process for preparing foamed solids using two or more azo compounds PENNWALT CORPORATION (US) 1978-07-18 US disclosed
US-4029615-A AZO COMPOUNDS PENNWALT CORPORATION (US) 1977-06-14 US disclosed
US-3993609-A ACID SENSITIVE AZO PROMOTERS PENNWALT CORPORATION (US) 1976-11-23 US disclosed