SCHEMBL11089663

SCHEMBL11089663

CC(Oc1cc(Oc2ccc(F)cc2C#N)ccc1[N+](=O)[O-])C(=O)Cl

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SLC22A12 Q96S37 5/20 0.40
▸ PLA2G7 Q13093 2/20 0.39
▸ HSPB1 P04792 3/20 0.38
▸ AR P10275 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ EPAS1 Q99814 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ CRHBP P24387 1/20 0.36
▸ CRHR2 Q13324 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ VEGFA P15692 1/20 0.36
▸ F10 P00742 1/20 0.36

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
SCHEMBL11081571 0.84 HSPB1 (0.45) HSPB1RAB9ATDP1CRHBPCRHR2
SCHEMBL11085781 0.81 RAB9A (0.39) SLC22A12PLA2G7RAB9AHTTSMN1; SMN2
SCHEMBL2446602 0.79 MAPT (0.50) SLC22A12HSPB1ARLMNAHTT
SCHEMBL11093245 0.77 TDP1 (0.61) TDP1LMNAHTTSMN1; SMN2
SCHEMBL11087902 0.77 LMNA (0.41) HSPB1TDP1LMNAHTTSMN1; SMN2
SCHEMBL378894 0.77 SLC22A12 (0.46) SLC22A12HSPB1AREPAS1LMNA
SCHEMBL11391940 0.76 MEN1 (0.44) ARTDP1LMNAHTTSMN1; SMN2
SCHEMBL7818103 0.75 MEN1 (0.65) TDP1LMNASMN1; SMN2
SCHEMBL11087612 0.75 MEN1 (0.48) ARRAB9ATDP1LMNAHTT
SCHEMBL11195278 0.74 MEN1 (0.51) RAB9ATDP1LMNASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4478634-A HERBICIDES VELSICOL CHEMICAL CORPORATION (US) 1984-10-23 — — US disclosed
US-4402729-A HERBICIDES VELSICOL CHEMICAL CORPORATION (US) 1983-09-06 — — US disclosed
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