SCHEMBL7991433

SCHEMBL7991433

CN(C)S(=O)(=O)c1ccc(OCCCc2c[nH]c(OC(=O)C(=O)Oc3nc(CCCOc4ccc(S(=O)(=O)N(C)C)cc4)c[nH]3)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 4/20 0.40
HTT P42858 1/20 0.40
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
MMP3 P08254 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35

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
SCHEMBL7990915 0.80 LMNA (0.42) ALDH1A1SMN1; SMN2LMNAMAPTL3MBTL1
SCHEMBL7991427 0.79 HRH3 (0.37) LMNAPOLBMAPTL3MBTL1
SCHEMBL7976831 0.78 FFAR1 (0.37)
Oxalic Acid SCHEMBL7991431 0.76 SMN1; SMN2 (0.45) ALDH1A1RAB9ASMN1; SMN2NPC1LMNA
SCHEMBL4383470 0.76 LMNA (0.45) ALDH1A1RAB9ASMN1; SMN2NPC1LMNA
SCHEMBL7987121 0.76 SMN1; SMN2 (0.46) ALDH1A1RAB9ASMN1; SMN2NPC1LMNA
SCHEMBL7988354 0.72 SMN1; SMN2 (0.45) RAB9ASMN1; SMN2NPC1MAPTL3MBTL1
SCHEMBL4378007 0.69 KMT2A (0.48) ALDH1A1
SCHEMBL6861934 0.68 HAO1 (0.34) RAB9ANPC1
SCHEMBL19001352 0.68 CA12 (0.64) ALDH1A1RAB9ASMN1; SMN2NPC1LMNA

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
WO-1996029315-A2 IMIDAZOLE DERIVATIVES AS HISTAMINE RECEPTOR H3 (ANT)AGONISTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1996-09-26 WO claimed
US-6248765-B1 ANTIINFLAMMATORY AGENTS; HYPOTENSIVE AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICAL (FR) 2001-06-19 US disclosed