SCHEMBL8624151

SCHEMBL8624151

N=C(NCc1ccccc1)SCCc1c[nH]cn1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.39
ALDH1A1 P00352 3/20 0.37
GAA P10253 2/20 0.36
ALOX12 P18054 2/20 0.35
HPGD P15428 1/20 0.35
GLA P06280 1/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
IDO1 P14902 1/20 0.34
MMP13 P45452 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
EPHX1 P07099 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL8622920 0.90 NOS1 (0.40) NOS1ALDH1A1ALOX12HPGDMEN1
Clobenpropit SCHEMBL8312286 0.80 HRH4 (0.40) MEN1POLBMAPTKMT2AIDO1
SCHEMBL16840342 0.80 SMN1; SMN2 (0.38) HPGDMAPTKMT2AL3MBTL1
SCHEMBL8619610 0.80 ALDH1A1 (0.41) NOS1ALDH1A1GAAALOX12HPGD
Clobenpropit SCHEMBL15130115 0.79 HRH4 (0.42) MEN1POLBMAPTKMT2AIDO1
Clobenprobit SCHEMBL29613706 0.79 HRH4 (0.38) MEN1POLBMAPTKMT2AIDO1
SCHEMBL28061468 0.76 CYP2C19 (0.51) ALDH1A1GAAHPGDGLA
SCHEMBL11660028 0.75 HRH3 (0.39) HPGDMEN1MAPTKMT2AL3MBTL1
SCHEMBL8617900 0.74 RAB9A (0.43) ALDH1A1GAAALOX12HPGDL3MBTL1
SCHEMBL4605920 0.73 GAA (0.53) ALDH1A1GAAMEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5837718-A ANTIHISTAMINES SEED CAPITAL INVESTMENT (SCI) B.V. (NL) 1998-11-17 US disclosed
EP-0573542-B1 IMIDAZOLE-DERIVATIVES HAVING ANTAGONISTIC ACTIVITY ON THE HISTAMINE H3-RECEPTOR SEED CAPITAL INVESTMENTS (NL) 1997-10-15 EP disclosed
EP-0573542-A1 IMIDAZOLE-DERIVATIVES HAVING AGONISTIC OR ANTAGONISTIC ACTIVITY ON THE HISTAMINE H 3?-RECEPTOR. SEED CAPITAL INVESTMENTS (NL) 1993-12-15 EP disclosed
WO-1992015567-A1 IMIDAZOLE-DERIVATIVES HAVING AGONISTIC OR ANTAGONISTIC ACTIVITY ON THE HISTAMINE H3-RECEPTOR SEED CAPITAL INVESTMENT (SCI) B.V. (NL) 1992-09-17 WO disclosed