SCHEMBL10719640

SCHEMBL10719640

O=[N+]([O-])c1cccc(-c2cc3cc4nc(cc5ccc(cc6nc(cc2[nH]3)C=C6)[nH]5)C=C4)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.49
▸ MEN1 O00255 4/20 0.49
▸ KMT2A Q03164 4/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ HTT P42858 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ MMP13 P45452 2/20 0.46
▸ MMP2 P08253 1/20 0.46
▸ MMP9 P14780 1/20 0.46
▸ MMP8 P22894 1/20 0.46
▸ NPC1 O15118 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ LMNA P02545 1/20 0.44
▸ GUSB P08236 1/20 0.44
▸ CYP1A2 P05177 2/20 0.43
▸ CYP2D6 P10635 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ HCRTR1 O43613 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43

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
SCHEMBL9091739 0.86 MAPT (0.46) MAPTMEN1KMT2ASMN1; SMN2HTT
SCHEMBL28450629 0.85 MAPT (0.45) MAPTMEN1KMT2ASMN1; SMN2HTT
SCHEMBL28456721 0.85 MAPT (0.45) MAPTMEN1KMT2ASMN1; SMN2HTT
SCHEMBL28459083 0.85 MAPT (0.45) MAPTMEN1KMT2ASMN1; SMN2HTT
SCHEMBL28452875 0.85 MAPT (0.45) MAPTMEN1KMT2ASMN1; SMN2HTT
SCHEMBL10719623 0.82 STAT3 (0.57) MAPTMEN1KMT2ASMN1; SMN2HTT
SCHEMBL8186744 0.81 STAT3 (0.55) MAPTMEN1KMT2ASMN1; SMN2HTT
SCHEMBL8186746 0.79 STAT3 (0.55) MAPTMEN1KMT2ASMN1; SMN2HTT
Benzene SCHEMBL28628071 0.79 STAT3 (0.52) MAPTMEN1KMT2ASMN1; SMN2HTT
SCHEMBL473160 0.79 STAT3 (0.52) MAPTMEN1KMT2ASMN1; SMN2HTT

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
JP-62067086-A — — None — — JP disclosed
JP-S6267086-A NOVEL TETRAPHENYLPORPHYRIN DERIVATIVE WAKO PURE CHEM IND LTD 1987-03-26 — — JP disclosed
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