SCHEMBL31616073

SCHEMBL31616073

CCN1CCN(c2ccc(C(=O)OC(C)(C)C)cc2[N+](=O)[O-])CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.56
▸ MAPT P10636 5/20 0.56
▸ CYP2C9 P11712 2/20 0.56
▸ HPGD P15428 2/20 0.56
▸ CYP2C19 P33261 2/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ CYP2D6 P10635 1/20 0.56
▸ GAA P10253 2/20 0.51
▸ LMNA P02545 4/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ GFER P55789 1/20 0.50
▸ ABCB1 P08183 1/20 0.50
▸ ABCG2 Q9UNQ0 1/20 0.50
▸ POLB P06746 1/20 0.49

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
SCHEMBL17223430 0.87 SMN1; SMN2 (0.65) ALDH1A1MAPTCYP2C9HPGDCYP2C19
SCHEMBL17302741 0.86 ALDH1A1 (0.67) ALDH1A1MAPTCYP2C9HPGDCYP2C19
SCHEMBL8073516 0.84 MAPT (0.55) ALDH1A1MAPTCYP2C9HPGDCYP2C19
SCHEMBL17302717 0.84 MAPT (0.69) ALDH1A1MAPTCYP2C9HPGDCYP2C19
SCHEMBL8076856 0.83 MAPT (0.53) ALDH1A1MAPTCYP2C9HPGDCYP2C19
SCHEMBL14067166 0.83 MAPT (0.53) ALDH1A1MAPTCYP2C9HPGDCYP2C19
SCHEMBL31616016 0.81 PRMT1 (0.57) ALDH1A1MAPTHPGDKDM4EGAA
SCHEMBL14334514 0.81 MAPT (0.66) ALDH1A1MAPTCYP2C9HPGDCYP2C19
SCHEMBL31615706 0.79 MAPT (0.60) ALDH1A1MAPTCYP2C9HPGDCYP2C19
SCHEMBL102545 0.79 MAPT (0.60) ALDH1A1MAPTCYP2C9HPGDCYP2C19

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
WO-2025120168-A1 SULFONAMIDE DERIVATIVES AND USE THEREOF IN THE TREATMENT OF CRYPTOSPORIDIUM INFECTIONS INSTITUT NATIONAL DE RECHERCHE POUR L'AGRICULTURE, L'ALIMENTATION ET L'ENVIRONNEMENT (INRAE) (FR) 2025-06-12 — — WO disclosed
Send feedback