SCHEMBL4832092

SCHEMBL4832092

COc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1CCNC(=O)c1cc2ccccc2cc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ LMNA P02545 2/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ PTGS1 P23219 1/20 0.47
▸ PTGS2 P35354 1/20 0.47
▸ SIRT1 Q96EB6 1/20 0.47
▸ MEN1 O00255 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ CASP1 P29466 1/20 0.46
▸ CASP7 P55210 1/20 0.46
▸ GAA P10253 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ KCNMA1 Q12791 1/20 0.45
▸ TNF P01375 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ POLA1 P09884 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ HTT P42858 1/20 0.44

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
SCHEMBL4831735 0.86 PTGS1 (0.48) MAPTALDH1A1LMNAPTGS1PTGS2
SCHEMBL4831601 0.85 MAPT (0.56) MAPTALDH1A1LMNAMAPK1MEN1
SCHEMBL4829844 0.80 KDM4E (0.55) MAPTALDH1A1LMNAPTGS1PTGS2
SCHEMBL4829754 0.76 PTGS1 (0.44) MAPTALDH1A1LMNAMAPK1PTGS1
SCHEMBL10890060 0.74 KCNMA1 (0.77) MAPTALDH1A1LMNAMAPK1MEN1
SCHEMBL6504452 0.74 CA12 (0.45) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL4829643 0.74 PTGS2 (0.52) MAPTALDH1A1MAPK1PTGS1PTGS2
SCHEMBL4831957 0.74 MAPT (0.54) MAPTALDH1A1LMNAMAPK1MEN1
SCHEMBL4829624 0.73 ESR1 (0.44) MAPTALDH1A1LMNAMAPK1PTGS1
SCHEMBL6941303 0.72 MAPT (0.60) MAPTALDH1A1LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7459472-B2 Aryl and heteroaryl compounds, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2008-12-02 — — US disclosed
US-7459472-B2 Aryl and heteroaryl compounds, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2008-12-02 — — US disclosed
US-7459472-B2 Aryl and heteroaryl compounds, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2008-12-02 — — US disclosed
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