SCHEMBL9788349

SCHEMBL9788349

Cc1c(C(=O)O)c(=O)cnn1-c1ccc(Cl)cc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
HCAR1 Q9BXC0 1/20 0.39
SCN9A Q15858 2/20 0.37
NR3C2 P08235 2/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TP53 P04637 1/20 0.37
RAB9A P51151 1/20 0.37
MARS1 P56192 1/20 0.36
MYC P01106 1/20 0.36
NR4A1 P22736 1/20 0.36
NOTUM Q6P988 3/20 0.36
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ANO1 Q5XXA6 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
CCR1 P32246 1/20 0.35
TMPRSS4 Q9NRS4 1/20 0.35
PHGDH O43175 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
SCHEMBL10357416 0.81 LMNA (0.52) LMNAHCAR1SCN9ANR3C2MAPT
SCHEMBL10366872 0.77 SMN1; SMN2 (0.44) HCAR1SCN9ANR3C2MAPTSMN1; SMN2
SCHEMBL9005750 0.76 KMT2A (0.48) LMNASMN1; SMN2RAB9ANOTUMNPSR1
SCHEMBL9788261 0.75 KMT2A (0.51) LMNASMN1; SMN2RAB9ANOTUMKDM4E
SCHEMBL10365970 0.75 SCN9A (0.48) HCAR1SCN9AMAPTSMN1; SMN2RAB9A
SCHEMBL9788260 0.73 HIF1A (0.44) LMNAMAPTSMN1; SMN2KDM4ECCR1
SCHEMBL10365987 0.72 MEN1 (0.40) HCAR1SCN9AMAPTSMN1; SMN2RAB9A
SCHEMBL9788258 0.72 HCAR1 (0.37) HCAR1MAPTSMN1; SMN2TP53RAB9A
SCHEMBL2298539 0.70 POLB (0.54) LMNASCN9AMAPTSMN1; SMN2RAB9A
SCHEMBL2900510 0.70 HCAR1 (0.42) HCAR1SCN9ANR3C2MAPTSMN1; SMN2

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