SCHEMBL10433271

SCHEMBL10433271

NC(=O)C=C(C(=O)O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.51
ALDH1A1 P00352 2/20 0.50
TSHR P16473 1/20 0.44
MAPT P10636 3/20 0.43
LMNA P02545 1/20 0.43
HSP90AA1 P07900 1/20 0.43
ATM Q13315 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
PLAU P00749 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALPL P05186 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL10433268 1.00 CTSD (0.51) CTSDALDH1A1TSHRMAPTLMNA
SCHEMBL6832634 0.87 ALDH1A1 (0.53) CTSDALDH1A1TSHRMAPTLMNA
SCHEMBL7882872 0.87 ALDH1A1 (0.53) CTSDALDH1A1TSHRMAPTLMNA
SCHEMBL7771093 0.81 ALDH1A1 (0.42) ALDH1A1TSHRMAPTLMNACYP3A4
SCHEMBL7771089 0.81 ALDH1A1 (0.42) ALDH1A1TSHRMAPTLMNACYP3A4
SCHEMBL6379911 0.77 TSHR (0.50) CTSDALDH1A1TSHRMAPTLMNA
SCHEMBL6379914 0.77 TSHR (0.50) CTSDALDH1A1TSHRMAPTLMNA
SCHEMBL115478 0.76 CTSD (0.65) CTSDALDH1A1TSHRMAPTLMNA
SCHEMBL10766788 0.76 CTSD (0.65) CTSDALDH1A1TSHRMAPTLMNA
SCHEMBL8397874 0.75 HPGD (0.53) ALDH1A1TSHRMAPTLMNACYP3A4

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
EP-0393713-A1 Process for the preparation of N-substituted maleimides Tosoh Corporation (JP) 1990-10-24 EP disclosed