SCHEMBL28683195

SCHEMBL28683195

C=C(C)c1cc[c]cc1[N+](=O)[O-]

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 6/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ GPR35 Q9HC97 2/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CASP6 P55212 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ HCAR3 P49019 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ ERN1 O75460 1/20 0.31

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
SCHEMBL7560618 0.79 TSHR (0.46) TSHRTDP1LMNACASP6ALDH1A1
SCHEMBL7013577 0.77 LMNA (0.44) TSHRSMN1; SMN2TDP1LMNACASP6
SCHEMBL6070445 0.77 SIRT6 (0.43) TSHRSMN1; SMN2TDP1LMNAHSD17B10
SCHEMBL29145557 0.76 MAPT (0.32) TSHRSMN1; SMN2GPR35TDP1HSD17B10
SCHEMBL547217 0.74 ALDH1A1 (0.56) TSHRGPR35TDP1HSD17B10ALDH1A1
SCHEMBL58127 0.74 HSD17B10 (0.54) TSHRSMN1; SMN2TDP1HSD17B10ALDH1A1
SCHEMBL57882 0.73 TSHR (0.40) TSHRGPR35TDP1CASP6HSD17B10
SCHEMBL5675005 0.72 TDP1 (0.35) TSHRGPR35TDP1HSD17B10ALDH1A1
SCHEMBL1028675 0.72 GPR35 (0.47) TSHRSMN1; SMN2GPR35TDP1LMNA
SCHEMBL6800906 0.71 TDP1 (0.38) TSHRGPR35TDP1HSD17B10ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114072000-A Molecules having certain pesticidal effects and intermediates, compositions and methods related thereto 科迪华农业科技有限责任公司 2022-02-18 — — CN disclosed
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