SCHEMBL31347513

SCHEMBL31347513

COc1cc(CCBr)cc([N+](=O)[O-])c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.44
▸ PTGS1 P23219 1/20 0.43
▸ PTGS2 P35354 1/20 0.43
▸ MAPT P10636 6/20 0.42
▸ MEN1 O00255 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ KCNJ1 P48048 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ CRHBP P24387 2/20 0.39
▸ CRHR2 Q13324 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ ALOX5 P09917 2/20 0.38
▸ SNCA P37840 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ CYP19A1 P11511 1/20 0.38
▸ TSHR P16473 1/20 0.37

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
SCHEMBL1098058 0.86 LMNA (0.46) LMNAPTGS1PTGS2MAPTMEN1
SCHEMBL30386000 0.83 TAAR1 (0.49) LMNAPTGS1PTGS2MAPTMEN1
SCHEMBL29008515 0.83 TAAR1 (0.49) LMNAPTGS1PTGS2MAPTMEN1
SCHEMBL8008016 0.80 PTGS1 (0.59) LMNAPTGS1PTGS2MAPTMEN1
SCHEMBL309863 0.80 LMNA (0.61) LMNAPTGS1PTGS2MAPTMEN1
SCHEMBL3119714 0.80 CYP19A1 (0.53) PTGS2MAPK1ALDH1A1CYP19A1TSHR
SCHEMBL10750758 0.80 MAPT (0.50) LMNAPTGS1PTGS2MAPTMEN1
SCHEMBL3508166 0.79 LOXL2 (0.48) LMNAPTGS1PTGS2MAPTMEN1
SCHEMBL15834453 0.79 LMNA (0.46) LMNAPTGS1PTGS2MAPTMEN1
SCHEMBL1098527 0.79 MEN1 (0.47) LMNAPTGS1PTGS2MAPTMEN1

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-119591621-A Novel ecteinascidin derivatives, preparation method and application thereof, antibody drug conjugate and application thereof 泰诚思(上海)生物医药有限公司 2025-03-11 — — CN disclosed
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