Nitrous Acid

Nitrous Acid

SCHEMBL28516210

CN(C)c1cc(C(=O)O)cc(Oc2cccc(Oc3ccccc3)c2)n1.O=NO

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 8/20 0.50
F2 P00734 7/20 0.49
AKR1C3 P42330 1/20 0.47
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MCL1 Q07820 1/20 0.40
EGLN1 Q9GZT9 1/20 0.39
SRD5A2 P31213 1/20 0.38
ALOX5 P09917 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
CHEK2 O96017 1/20 0.37
P2RX3 P56373 1/20 0.37

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
SCHEMBL946884 0.90 F10 (0.52) F10F2AKR1C3ALDH1A1MCL1
SCHEMBL28516207 0.86 F10 (0.44) F10F2AKR1C3KDM4EALDH1A1
Nitrous Acid SCHEMBL28905580 0.81 F10 (0.52) F10F2AKR1C3MCL1SRD5A2
Nitrous Acid SCHEMBL28521190 0.76 LOXL2 (0.59) F10F2AKR1C3MCL1CHEK2
SCHEMBL943936 0.76 F2 (0.59) F10F2KDM4EALDH1A1SMN1; SMN2
SCHEMBL28506542 0.75 SMN1; SMN2 (0.43) F10F2KDM4EALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL28515427 0.74 SMN1; SMN2 (0.42) F10F2KDM4EALDH1A1SMN1; SMN2
SCHEMBL18049153 0.74 SMN1; SMN2 (0.41) F10ALDH1A1SMN1; SMN2CHEK2
SCHEMBL18049204 0.74 LOXL2 (0.63) KDM4EALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL18049139 0.73 LOXL2 (0.62)

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-107624110-B Lysyl oxidase-like 2 inhibitors and uses thereof 法玛克亚公司 2021-01-26 CN disclosed