SCHEMBL9788262

SCHEMBL9788262

O=C(O)c1c(-c2ccccc2)n(-c2ccc(Cl)cc2)ncc1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
PTGS1 P23219 3/20 0.46
PTGS2 P35354 3/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
HIF1A Q16665 1/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
ALDH1A1 P00352 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HSP90AA1 P07900 1/20 0.42
NFKB1 P19838 1/20 0.42

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
SCHEMBL9788264 0.90 CYP2C9 (0.57) LMNANPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL9788323 0.86 CYP1A2 (0.55) CYP1A2CYP2C9CYP2C19PTGS1PTGS2
SCHEMBL10812124 0.82 SRC (0.44) LMNANPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL9005750 0.79 KMT2A (0.48) LMNANPSR1PTGS2NPC1RAB9A
SCHEMBL10358492 0.77 CYP1A2 (0.58) LMNANPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL11538580 0.76 KDM4E (0.48) LMNANPSR1PTGS1PTGS2NPC1
SCHEMBL122191 0.76 NR4A3 (0.51) LMNANPSR1NPC1RAB9ASMN1; SMN2
SCHEMBL10816206 0.75 LMNA (0.44) LMNANPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL4411084 0.75 NR4A3 (0.50) LMNANPSR1NPC1RAB9ASMN1; SMN2
SCHEMBL31276291 0.74 PTGS2 (0.66) LMNANPSR1CYP1A2PTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5062880-A Male plant sterility MONSANTO COMPANY (US) 1991-11-05 US disclosed
US-4732603-A ANTIFERTILITY AGENTS ROHM AND HAAS COMPANY (US) 1988-03-22 US disclosed
EP-0049971-B1 SUBSTITUTED PYRIDAZINES, PROCESSES FOR MAKING THEM, THEIR USE AS PLANT GROWTH REGULATORS, AND PLANT GROWTH REGULATING COMPOSITIONS CONTAINING THEM ROHM AND HAAS COMPANY (US) 1987-04-08 EP disclosed
EP-0049971-A1 Substituted pyridazines, processes for making them, their use as plant growth regulators, and plant growth regulating compositions containing them ROHM AND HAAS COMPANY (US) 1982-04-21 EP disclosed