SCHEMBL9788265

SCHEMBL9788265

CCCCc1c(C(=O)O)c(=O)cnn1-c1ccc(I)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A3 Q92570 1/20 0.41
MAPK14 Q16539 2/20 0.36
MAPT P10636 8/20 0.36
AGTR1 P30556 2/20 0.36
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PPARA Q07869 1/20 0.36
ALDH1A1 P00352 6/20 0.35
POLB P06746 2/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
PKM P14618 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
THPO P40225 1/20 0.35

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
SCHEMBL9788244 0.89 NR4A3 (0.53) NR4A3MAPK14MAPTAGTR1LMNA
SCHEMBL10813419 0.88 RAB9A (0.46) NR4A3MAPK14MAPTLMNAL3MBTL1
SCHEMBL9788322 0.81 ALDH1A1 (0.43) NR4A3MAPK14MAPTAGTR1LMNA
SCHEMBL9788253 0.81 NR4A3 (0.56) NR4A3MAPK14MAPTLMNAALDH1A1
SCHEMBL9005800 0.80 MAPT (0.51) NR4A3MAPK14MAPTLMNANPSR1
SCHEMBL10357762 0.80 POLB (0.38) AGTR1PPARAALDH1A1POLBKDM4E
SCHEMBL9788277 0.78 NR4A3 (0.41) NR4A3MAPK14MAPTLMNAALDH1A1
SCHEMBL9788326 0.77 MAPK14 (0.45) NR4A3MAPK14LMNA
SCHEMBL9788315 0.76 AGTR1 (0.40) NR4A3MAPTAGTR1LMNAL3MBTL1
SCHEMBL9005834 0.76 NR4A3 (0.52) NR4A3MAPTL3MBTL1SMN1; SMN2NPSR1

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