SCHEMBL31737589

SCHEMBL31737589

CNc1ccc(C2(c3ccccc3C(N)=O)CC2)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 1/20 0.49
HCAR3 P49019 1/20 0.44
HTT P42858 1/20 0.43
MAPT P10636 4/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPK1 P28482 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KCNMA1 Q12791 3/20 0.38
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
PKM P14618 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 2/20 0.37
RECQL P46063 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GAA P10253 2/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
CTSD P07339 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL7412565 0.72 HCAR3 (0.57) CDC25BHCAR3HTTMAPTALDH1A1
SCHEMBL7424865 0.72 HCAR3 (0.53) CDC25BHCAR3HTTMAPTALDH1A1
Hydrochloric Acid SCHEMBL7412658 0.72 HCAR3 (0.49) CDC25BHCAR3HTTMAPTALDH1A1
SCHEMBL29817953 0.70 SIRT1 (0.43) MAPTALDH1A1L3MBTL1KMT2ALMNA
SCHEMBL10665446 0.70 HCAR3 (0.74) CDC25BHCAR3HTTMAPTALDH1A1
SCHEMBL31737615 0.70 GAA (0.44) HTTMAPTALDH1A1MAPK1L3MBTL1
SCHEMBL7492678 0.69 HCAR3 (0.53) CDC25BHCAR3HTTMAPTALDH1A1
SCHEMBL8026140 0.68 MEN1 (0.53) CDC25BHCAR3HTTMAPTALDH1A1
SCHEMBL7215729 0.68 MAPT (0.53) CDC25BHCAR3HTTMAPTALDH1A1
SCHEMBL7410714 0.67 HCAR3 (0.47) CDC25BHCAR3HTTMAPTALDH1A1

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-2025245367-A1 INHIBITING CATECHOL-O-METHYLTRANSFERASE (COMT) PSY THERAPEUTICS, INC. (US) 2025-11-27 WO disclosed