SCHEMBL9788264

SCHEMBL9788264

O=C(O)c1c(-c2ccccc2)n(-c2ccccc2)ncc1=O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.57
CYP2C19 P33261 2/20 0.57
CYP1A2 P05177 1/20 0.57
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HIF1A Q16665 1/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 1/20 0.43
HSP90AA1 P07900 1/20 0.43
NFKB1 P19838 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
MAPT P10636 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL9788323 0.90 CYP1A2 (0.55) CYP2C9CYP2C19CYP1A2ALDH1A1MEN1
SCHEMBL9788262 0.90 LMNA (0.48) CYP2C9CYP2C19CYP1A2ALDH1A1MEN1
SCHEMBL9788240 0.79 MAPK1 (0.58) CYP2C9CYP2C19CYP1A2MEN1KMT2A
SCHEMBL10812124 0.79 SRC (0.44) CYP2C9CYP2C19CYP1A2ALDH1A1MEN1
SCHEMBL4497271 0.79 ALDH1A1 (0.65) CYP2C9CYP2C19CYP1A2ALDH1A1MEN1
SCHEMBL9788273 0.76 NR4A3 (0.67) CYP2C9CYP2C19CYP1A2ALDH1A1MEN1
SCHEMBL10816206 0.76 LMNA (0.44) CYP2C9CYP2C19CYP1A2ALDH1A1MEN1
SCHEMBL9788337 0.75 NR4A3 (0.50) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL4494401 0.74 CYP2C9 (0.69) CYP2C9CYP2C19CYP1A2ALDH1A1MEN1
SCHEMBL10357411 0.74 CYP2C9 (0.64) CYP2C9CYP2C19CYP1A2ALDH1A1MEN1

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 3 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