SCHEMBL9739364

SCHEMBL9739364

O=c1c(N(CCCO)Cc2ccccc2)c(Cl)cnn1Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 4/20 0.45
HTT P42858 8/20 0.41
ALDH1A1 P00352 7/20 0.41
NPSR1 Q6W5P4 6/20 0.41
LMNA P02545 5/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 6/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
POLB P06746 2/20 0.40
MITF O75030 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PKM P14618 2/20 0.40
BLM P54132 1/20 0.40
GPR35 Q9HC97 1/20 0.40
NPC1 O15118 3/20 0.39
PTGS1 P23219 2/20 0.39
PTGS2 P35354 2/20 0.39

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
SCHEMBL9674153 0.91 NPBWR1 (0.58) NPBWR1MEN1KMT2AMAPTMAPK1
SCHEMBL9672434 0.88 RAB9A (0.36) NPBWR1HTTALDH1A1NPSR1LMNA
SCHEMBL6999341 0.86 MAPT (0.42) NPBWR1ALDH1A1NPSR1RAB9AMEN1
SCHEMBL7005110 0.85 TSHR (0.36) NPBWR1HTTALDH1A1NPSR1LMNA
SCHEMBL7005108 0.85 TSHR (0.36) NPBWR1HTTALDH1A1NPSR1LMNA
SCHEMBL7001314 0.84 RAB9A (0.52) NPBWR1HTTALDH1A1NPSR1LMNA
SCHEMBL9674408 0.81 NPC1 (0.33) NPBWR1HTTALDH1A1NPSR1CYP2C19
SCHEMBL9674412 0.81 NPC1 (0.33) NPBWR1HTTALDH1A1NPSR1CYP2C19
SCHEMBL7000441 0.78 KAT2B (0.43) NPBWR1ALDH1A1NPSR1RAB9AMEN1
SCHEMBL7001264 0.72 KAT2B (0.47) ALDH1A1NPSR1RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992012137-A1 NOVEL 3(2H)-PYRIDAZINONES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME Richter Gedeon Vegyészeti Gyár Rt. (HU) 1992-07-23 WO disclosed