SCHEMBL11129796

SCHEMBL11129796

O=c1ccc(/C=C/c2ccccn2)n[nH]1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.67
CYP1A2 P05177 3/20 0.67
KDM4E B2RXH2 3/20 0.67
HPGD P15428 2/20 0.67
NPC1 O15118 5/20 0.57
RAB9A P51151 5/20 0.57
KMT2A Q03164 4/20 0.57
MEN1 O00255 3/20 0.57
ATM Q13315 1/20 0.57
PTGS1 P23219 2/20 0.55
PTGS2 P35354 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
POLB P06746 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
FGFR1 P11362 1/20 0.44
IKBKB O14920 1/20 0.44
RAF1 P04049 1/20 0.44
RPS6KB1 P23443 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL10725655 1.00 LMNA (0.67) LMNACYP1A2KDM4EHPGDNPC1
SCHEMBL9394256 0.76 NPC1 (1.00) LMNACYP1A2KDM4ENPC1RAB9A
SCHEMBL229328 0.76 NPC1 (1.00) LMNACYP1A2KDM4ENPC1RAB9A
SCHEMBL31560044 0.76 NPC1 (1.00) LMNACYP1A2KDM4ENPC1RAB9A
SCHEMBL229329 0.76 NPC1 (1.00) LMNACYP1A2KDM4ENPC1RAB9A
SCHEMBL10986314 0.75 CYP1A2 (0.72) LMNACYP1A2KDM4EHPGDNPC1
SCHEMBL10767136 0.71 PTGS1 (1.00) LMNACYP1A2KDM4EHPGDNPC1
SCHEMBL10763055 0.71 PTGS1 (0.62) LMNACYP1A2KDM4EHPGDNPC1
SCHEMBL10767140 0.71 PTGS1 (1.00) LMNACYP1A2KDM4EHPGDNPC1
SCHEMBL10763057 0.71 PTGS1 (0.62) LMNACYP1A2KDM4EHPGDNPC1

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
EP-0150463-A1 Substituted 4.5-dihydro-6-vinyl-3(2H)-pyridazinones and 6-vinyl-3(2H)-pyridazinones and process for producing the same A. Nattermann & Cie. GmbH (DE) 1985-08-07 EP disclosed