SCHEMBL7005108

SCHEMBL7005108

O=c1c(N(CCCO)Cc2ccccc2)c(Cl)cnn1C/C=C/c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
HPGD P15428 2/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
ALDH1A1 P00352 5/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
MAPT P10636 3/20 0.35
POLB P06746 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C19 P33261 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.34
USP2 O75604 2/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPK1 P28482 1/20 0.34
KDM4E B2RXH2 3/20 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
SCHEMBL7005110 1.00 TSHR (0.36) TSHRHPGDNPC1RAB9AALDH1A1
SCHEMBL9672434 0.87 RAB9A (0.36) TSHRNPC1RAB9AALDH1A1MEN1
SCHEMBL7003258 0.86 NPC1 (0.45) TSHRHPGDNPC1RAB9AALDH1A1
SCHEMBL7003256 0.86 NPC1 (0.45) TSHRHPGDNPC1RAB9AALDH1A1
SCHEMBL9739364 0.85 NPBWR1 (0.45) HPGDNPC1RAB9AALDH1A1MEN1
SCHEMBL9736076 0.81 HTT (0.39) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL9674236 0.81 NPC1 (0.35) TSHRHPGDNPC1RAB9AALDH1A1
SCHEMBL6999341 0.79 MAPT (0.42) TSHRNPC1RAB9AALDH1A1MEN1
SCHEMBL9674408 0.79 NPC1 (0.33) TSHRNPC1RAB9AALDH1A1MEN1
SCHEMBL9674412 0.79 NPC1 (0.33) TSHRNPC1RAB9AALDH1A1MEN1

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 5 patents. 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 claimed
US-6602865-B1 Pyridazino(4,5-b)(1,5)oxazepinone, -thiazepinone and -diazepinone compounds IVAX DRUG RESEARCH INSTITUTE, LTD. (HU) 2003-08-05 US disclosed
EP-1129097-B1 NOVEL TYPE CONDENSED PYRIDAZINONE COMPOUNDS GYOGYSZERKUTATO INTEZET (HU) 2003-01-29 EP disclosed
EP-1129097-A1 NOVEL TYPE CONDENSED PYRIDAZINONE COMPOUNDS GYOGYSZERKUTATO INTEZET KFT. (HU) 2001-09-05 EP disclosed
WO-2000027851-A1 NOVEL TYPE CONDENSED PYRIDAZINONE COMPOUNDS Gyógyszerkutató Intézet Kft. (HU) 2000-05-18 WO disclosed