Nitrophenolate

Nitrophenolate

SCHEMBL28636240

CCC.O=[N+]([O-])c1ccccc1O

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 4/20 0.57
HSD17B10 Q99714 2/20 0.52
CTSB P07858 1/20 0.50
TDP1 Q9NUW8 4/20 0.48
KCNMA1 Q12791 2/20 0.47
ALDH1A1 P00352 3/20 0.47
TSHR P16473 2/20 0.47
MAPK1 P28482 2/20 0.47
TP53 P04637 1/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
CTSD P07339 1/20 0.46
NPC1 O15118 1/20 0.46
RECQL P46063 1/20 0.46
RAB9A P51151 1/20 0.46
ALOX15 P16050 1/20 0.46
CRHBP P24387 1/20 0.44

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
Nitrophenolate SCHEMBL10626454 0.94 GPR35 (0.55) GPR35HSD17B10CTSBTDP1KCNMA1
Nitrophenolate SCHEMBL28573815 0.94 GPR35 (0.55) GPR35HSD17B10CTSBTDP1KCNMA1
Nitrophenolate SCHEMBL27538260 0.92 GPR35 (0.53) GPR35HSD17B10CTSBTDP1KCNMA1
Nitrophenolate SCHEMBL28138057 0.91 GPR35 (0.61) GPR35HSD17B10CTSBTDP1KCNMA1
Nitrophenolate SCHEMBL28029048 0.91 GPR35 (0.65) GPR35HSD17B10CTSBTDP1KCNMA1
Nitrophenolate SCHEMBL26026 0.91 GPR35 (0.65) GPR35HSD17B10CTSBTDP1KCNMA1
Nitrophenolate SCHEMBL29360402 0.91 GPR35 (0.65) GPR35HSD17B10CTSBTDP1KCNMA1
Nitrophenolate SCHEMBL29290800 0.89 GPR35 (0.59) GPR35HSD17B10CTSBTDP1KCNMA1
Nitrophenolate SCHEMBL16553333 0.89 GPR35 (0.63) GPR35HSD17B10CTSBTDP1KCNMA1
Nitrophenolate SCHEMBL11344901 0.89 GPR35 (0.63) GPR35HSD17B10CTSBTDP1KCNMA1

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-110740644-B Fungicidal compositions 先正达参股股份有限公司 2021-09-28 CN disclosed