SCHEMBL10388399

SCHEMBL10388399

O=C(O)C1CC(c2cc([N+](=O)[O-])ccc2Cl)=NO1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.54
▸ HPGD P15428 1/20 0.54
▸ POLB P06746 3/20 0.48
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ APAF1 O14727 1/20 0.44
▸ GRK2 P25098 1/20 0.44
▸ APOBEC3G Q9HC16 1/20 0.44
▸ MAPT P10636 3/20 0.44
▸ LMNA P02545 1/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41

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
SCHEMBL10387956 0.82 HPGD (0.57) HTTHPGDPOLBCA1CA2
SCHEMBL10387942 0.79 POLB (0.65) HTTPOLBCA1CA2NPC1
SCHEMBL10388861 0.78 HPGD (0.48) HTTHPGDPOLBNPC1RAB9A
SCHEMBL10387959 0.78 NPC1 (0.65) POLBCA1CA2NPC1RAB9A
SCHEMBL10388432 0.76 CA1 (0.72) HTTHPGDPOLBCA1CA2
SCHEMBL10389730 0.74 CYP1A2 (0.63) HPGDPOLBCA1CA2NPC1
SCHEMBL10389746 0.74 HPGD (0.57) HTTHPGDPOLBCA1CA2
SCHEMBL10387957 0.72 POLB (0.62) HTTHPGDPOLBCA1CA2
SCHEMBL16950775 0.72 HSD17B10 (0.40) HTTCA1CA2NPC1RAB9A
SCHEMBL16950780 0.71 HSD17B10 (0.39) CA1CA2RAB9ASMN1; SMN2ALDH1A1

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-4906277-A Isoxazoline derivatives and plant growth regulators MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1990-03-06 — — US disclosed
US-4889551-A Isoxazoline derivatives and plant growth regulators MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1989-12-26 — — US disclosed
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