SCHEMBL9485406

SCHEMBL9485406

CN1C[S+]([O-])c2cc(C(=O)c3ccc(Cl)cc3)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.41
▸ LMNA P02545 3/20 0.41
▸ MAPK1 P28482 2/20 0.40
▸ SRD5A2 P31213 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ PPARG P37231 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ NR2E3 Q9Y5X4 1/20 0.39
▸ NCOR2 Q9Y618 1/20 0.39
▸ HTT P42858 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ HDAC3 O15379 1/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC7 Q8WUI4 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC10 Q969S8 1/20 0.37

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
SCHEMBL9483257 0.87 HPGD (0.45) ALDH1A1LMNAMAPK1SRD5A2HPGD
SCHEMBL9196395 0.81 MAPT (0.41) ALDH1A1LMNAMAPK1HPGDKDM4E
SCHEMBL7760504 0.78 NPC1 (0.37) ALDH1A1LMNAHPGDKDM4ENPC1
SCHEMBL8786328 0.77 GSK3B (0.41) ALDH1A1HPGDNPC1RAB9AGSK3B
SCHEMBL9684512 0.76 NPC1 (0.36) ALDH1A1HPGDNPC1RAB9ANPSR1
SCHEMBL8785447 0.74 ALDH1A1 (0.36) ALDH1A1HPGDKDM4ENPC1RAB9A
SCHEMBL9484824 0.74 NPC1 (0.36) ALDH1A1HPGDKDM4ENPC1RAB9A
SCHEMBL9484575 0.74 HSD17B3 (0.45) ALDH1A1HPGDNPC1RAB9ANPSR1
SCHEMBL9483366 0.70 SRD5A2 (0.41) ALDH1A1MAPK1SRD5A2HPGDNPC1
SCHEMBL7762764 0.68 KDM4E (0.55) ALDH1A1LMNAKDM4ESMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5240949-A Analgesics, blood lipid normalizing ADIR ET COMPAGNIE (FR) 1993-08-31 — — US disclosed
US-5162350-A Analgesics; nontoxic; side effect reduction ADIR ET COMPAGNIE (FR) 1992-11-10 — — US disclosed
US-5084469-A Analgesics ADIR ET COMPAGNIE (FR) 1992-01-28 — — US disclosed
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