SCHEMBL31607334

SCHEMBL31607334

COC(=O)[C@@H](C)Nc1c(Br)cc(CO[Si](C)(C)C(C)(C)C)cc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.36
ALDH1A1 P00352 4/20 0.34
KMT2A Q03164 2/20 0.32
BTN3A1 O00481 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
LMNA P02545 1/20 0.31
HCAR3 P49019 1/20 0.30
GSTP1 P09211 1/20 0.30
GSTM2 P28161 1/20 0.30
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL31607348 0.82 ALDH1A1 (0.40) ABL1ALDH1A1KMT2ACYP1A2CYP3A4
SCHEMBL31607286 0.82 ALDH1A1 (0.40) ABL1ALDH1A1KMT2ACYP1A2CYP3A4
SCHEMBL31607355 0.82 KMT2A (0.44) ALDH1A1KMT2AHCAR3MEN1MAPT
SCHEMBL31474310 0.74 KMT2A (0.47) ABL1ALDH1A1KMT2AHCAR3MEN1
SCHEMBL29215568 0.74 KMT2A (0.47) ABL1ALDH1A1KMT2AHCAR3MEN1
SCHEMBL22128468 0.72 ALDH1A1 (0.40) ABL1ALDH1A1KMT2ACYP1A2LMNA
SCHEMBL25380351 0.70 ALDH1A1 (0.38) ALDH1A1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL5463384 0.70 NPC1 (0.41) ALDH1A1KMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL30979300 0.69 L3MBTL1 (0.39) ALDH1A1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL30288496 0.69 CA12 (0.37) ALDH1A1KMT2ACYP1A2CYP3A4CYP2C9

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-120092010-A Polycyclic poly (ADP-ribose) polymerase selective inhibitors 轩竹生物科技股份有限公司 2025-06-03 CN disclosed