SCHEMBL8622920

SCHEMBL8622920

N=C(NCCc1ccccc1)SCCc1c[nH]cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 5/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
NPC1 O15118 3/20 0.38
EPHX1 P07099 1/20 0.38
IDO1 P14902 1/20 0.37
POLB P06746 1/20 0.36
CA12 O43570 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
CA1 P00915 1/20 0.35
ALDH1A1 P00352 2/20 0.35
ALOX12 P18054 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
XBP1 P17861 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 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
SCHEMBL8624151 0.90 NOS1 (0.39) NOS1HPGDEPHX1IDO1POLB
SCHEMBL8617900 0.83 RAB9A (0.43) HPGDRAB9ASMN1; SMN2NPC1EPHX1
SCHEMBL8619610 0.82 ALDH1A1 (0.41) NOS1HPGDSMN1; SMN2NPC1ALDH1A1
Iodophenpropit SCHEMBL13039517 0.81 HRH4 (0.35) MEN1KMT2A
Iodophenpropit SCHEMBL30938563 0.80 HRH4 (0.36) MEN1KMT2A
SCHEMBL11660028 0.78 HRH3 (0.39) HPGDSMN1; SMN2NPC1MEN1LMNA
SCHEMBL9867117 0.75 L3MBTL1 (0.43) HPGDRAB9ANPC1EPHX1POLB
SCHEMBL6180571 0.75 SIGMAR1 (0.50) CA12CA2CA1MAPT
SCHEMBL6962458 0.74 RAB9A (0.41) HPGDRAB9ASMN1; SMN2NPC1CA12
SCHEMBL6970802 0.74 SMN1; SMN2 (0.38) HPGDRAB9ASMN1; SMN2NPC1EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0573542-B1 IMIDAZOLE-DERIVATIVES HAVING ANTAGONISTIC ACTIVITY ON THE HISTAMINE H3-RECEPTOR SEED CAPITAL INVESTMENTS (NL) 1997-10-15 EP claimed
EP-0573542-A1 IMIDAZOLE-DERIVATIVES HAVING AGONISTIC OR ANTAGONISTIC ACTIVITY ON THE HISTAMINE H 3?-RECEPTOR. SEED CAPITAL INVESTMENTS (NL) 1993-12-15 EP claimed
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 claimed
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