SCHEMBL9124696

SCHEMBL9124696

O=c1c(NCCCCl)c(Cl)cnn1COCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 3/20 0.40
MCHR1 Q99705 1/20 0.40
RAB9A P51151 7/20 0.39
NPSR1 Q6W5P4 5/20 0.39
NPC1 O15118 5/20 0.39
ALDH1A1 P00352 5/20 0.39
LMNA P02545 5/20 0.39
MAPT P10636 5/20 0.39
HTT P42858 5/20 0.39
S1PR2 O95136 3/20 0.39
MEN1 O00255 2/20 0.39
JAK2 O60674 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
MAPK14 Q16539 2/20 0.37
BPTF Q12830 1/20 0.37
P2RX7 Q99572 1/20 0.36
SMN1; SMN2 Q16637 5/20 0.35
S1PR4 O95977 3/20 0.35
S1PR1 P21453 3/20 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
SCHEMBL9123281 0.91 LMNA (0.40) NPBWR1MCHR1RAB9ANPSR1NPC1
SCHEMBL9124982 0.90 NPBWR1 (0.41) NPBWR1MCHR1RAB9ANPSR1NPC1
SCHEMBL9123335 0.79 HTT (0.59) NPBWR1RAB9ANPSR1NPC1ALDH1A1
SCHEMBL9124478 0.77 KCNH2 (0.44) MCHR1RAB9ANPC1SMN1; SMN2HPGD
SCHEMBL9736689 0.77 GHSR (0.38) NPBWR1MCHR1NPSR1ALDH1A1LMNA
SCHEMBL9736688 0.77 GHSR (0.38) NPBWR1MCHR1NPSR1ALDH1A1LMNA
SCHEMBL23122482 0.77 ALDH1A1 (0.50) NPBWR1RAB9ANPSR1NPC1ALDH1A1
SCHEMBL23122130 0.73 NPC1 (0.46) NPBWR1RAB9ANPSR1NPC1ALDH1A1
SCHEMBL27077676 0.73 KMT2A (0.50) RAB9ANPSR1NPC1ALDH1A1LMNA
SCHEMBL23122182 0.72 NPC1 (0.43) NPBWR1RAB9ANPSR1NPC1ALDH1A1

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
US-5395934-A Antiarrhythmia agents and cardiovascular disorders EGIS GYOGYSZERGYAR (HU) 1995-03-07 US disclosed
CN-1088578-A 3 (2H)-pyridazinone derivatives and preparation method thereof EGYT GYOGYSZERVEGYESZETI GYAR (HU) 1994-06-29 CN disclosed