SCHEMBL31452008

SCHEMBL31452008

COC(=O)c1c(Br)ccc([N+](=O)[O-])c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 5/20 0.40
KMT2A Q03164 5/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
CYP2D6 P10635 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ABCC4 O15439 1/20 0.40
PLIN1 O60240 1/20 0.40
CACNA1F O60840 1/20 0.40
GMNN O75496 1/20 0.40
KCNK2 O95069 1/20 0.40
ABCB11 O95342 1/20 0.40
GSR P00390 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL31285049 0.88 SMN1; SMN2 (0.41) SMN1; SMN2MAPTKMT2AALDH1A1LMNA
SCHEMBL31284435 0.88 SMN1; SMN2 (0.41) SMN1; SMN2MAPTKMT2AALDH1A1LMNA
SCHEMBL914504 0.84 SMN1; SMN2 (0.42) SMN1; SMN2MAPTKMT2AALDH1A1LMNA
SCHEMBL5309337 0.83 TSHR (0.44) SMN1; SMN2MAPTKMT2AALDH1A1LMNA
SCHEMBL1070965 0.83 SMN1; SMN2 (0.49) SMN1; SMN2MAPTKMT2AALDH1A1LMNA
SCHEMBL17374970 0.83 CA12 (0.49) SMN1; SMN2MAPTKMT2AALDH1A1LMNA
SCHEMBL28416780 0.82 TDP1 (0.44) SMN1; SMN2MAPTKMT2AALDH1A1LMNA
SCHEMBL20920009 0.82 TDP1 (0.49) SMN1; SMN2MAPTKMT2AALDH1A1LMNA
SCHEMBL2532517 0.81 TDP1 (0.44) SMN1; SMN2MAPTKMT2AALDH1A1LMNA
SCHEMBL1335324 0.80 KMT2A (0.46) SMN1; SMN2MAPTKMT2AALDH1A1LMNA

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-119954810-A Regulator of fused ring derivative, preparation method and application thereof 上海翰森生物医药科技有限公司 2025-05-09 CN disclosed