SCHEMBL31027926

SCHEMBL31027926

Cc1c([N+](=O)[O-])cc(-c2ccccc2)c(C=O)c1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.43
▸ TSHR P16473 3/20 0.41
▸ ERN1 O75460 2/20 0.40
▸ CRHBP P24387 1/20 0.40
▸ CRHR2 Q13324 1/20 0.40
▸ HPRT1 P00492 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CES2 O00748 1/20 0.38
▸ CES1 P23141 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ FBP1 P09467 1/20 0.37
▸ CDC25B P30305 1/20 0.36
▸ PDCD1 Q15116 1/20 0.36
▸ CD274 Q9NZQ7 1/20 0.36
▸ POLB P06746 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
SCHEMBL31027932 0.88 ERN1 (0.44) TDP1ALDH1A1TSHRERN1LMNA
SCHEMBL5911741 0.76 TDP1 (0.47) TDP1L3MBTL1ALDH1A1TSHRCRHBP
SCHEMBL28641417 0.73 CRHBP (0.53) TDP1ALDH1A1TSHRERN1CRHBP
SCHEMBL11758012 0.73 TDP1 (0.55) TDP1L3MBTL1TSHRLMNAKMT2A
SCHEMBL28892095 0.72 ALDH1A1 (0.50) TDP1L3MBTL1ALDH1A1CRHBPCRHR2
SCHEMBL27556654 0.71 HPRT1 (0.54) TDP1ALDH1A1TSHRCRHBPCRHR2
SCHEMBL28635053 0.70 CRHBP (0.49) TDP1ALDH1A1ERN1CRHBPCRHR2
SCHEMBL28646250 0.70 CRHBP (0.49) TDP1ALDH1A1ERN1CRHBPCRHR2
SCHEMBL28632790 0.70 CRHBP (0.49) TDP1ALDH1A1ERN1CRHBPCRHR2
SCHEMBL8654849 0.69 TDP1 (0.65) TDP1L3MBTL1ALDH1A1TSHRCRHBP

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118406041-A Tazemetostat synthesis method 沈阳药科大学 2024-07-30 — — CN claimed
CN-118406041-A Tazemetostat synthesis method 沈阳药科大学 2024-07-30 — — CN disclosed
Send feedback