SCHEMBL11096077

SCHEMBL11096077

Cc1cccc(-c2cc([N+](=O)[O-])ccc2Oc2ccc([N+](=O)[O-])cc2-c2cccc(C)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
ACHE P22303 1/20 0.56
MAPT P10636 5/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPBWR1 P48145 1/20 0.49
PTGDR2 Q9Y5Y4 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
GFER P55789 1/20 0.48
MAOB P27338 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
HSP90AA1 P07900 1/20 0.43
HSPB1 P04792 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
TBXA2R P21731 2/20 0.42

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
SCHEMBL2365111 0.86 TSHR (0.48) TSHRACHEMAPTSMN1; SMN2PTGDR2
SCHEMBL9812697 0.83 PTGDR2 (0.67) ACHEMAPTRAB9APTGDR2ALDH1A1
SCHEMBL630090 0.81 AKR1C3 (0.56) TSHRACHEMAPTNPC1RAB9A
SCHEMBL3466908 0.78 TSHR (0.54) TSHRACHEMAPTMEN1KMT2A
SCHEMBL12360611 0.77 TSHR (0.78) TSHRACHEMAPTNPC1RAB9A
SCHEMBL5696845 0.77 MAPT (0.56) TSHRACHEMAPTNPC1RAB9A
SCHEMBL628758 0.76 ACHE (0.63) TSHRACHEMAPTNPC1RAB9A
SCHEMBL3788452 0.74 MAPT (0.54) MAPTNPC1RAB9ASMN1; SMN2NPBWR1
SCHEMBL10945758 0.74 MAPT (0.57) MAPTNPC1RAB9ASMN1; SMN2NPBWR1
SCHEMBL29408235 0.74 PTGDR2 (0.63) MAPTNPC1RAB9ASMN1; SMN2PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-55013203-A None JP disclosed
JP-56092202-A None JP disclosed
US-4435332-A POSTEMERGENCE, PREEMERGENCE HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-03-06 US disclosed
JP-S5692202-A PREVENTION OF AXILLARY BUD OF PLANT OF SOLANACEAE TOKYO ORGAN CHEM IND LTD 1981-07-25 JP disclosed
US-4263039-A HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1981-04-21 US disclosed
JP-S5513203-A HERBICIDE COMPOSITION MITSUI TOATSU CHEM INC 1980-01-30 JP disclosed
US-4173464-A HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1979-11-06 US disclosed