SCHEMBL15520248

SCHEMBL15520248

CCOc1cc(C(C)=O)c([N+](=O)[O-])cc1OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSV O60911 4/20 0.49
▸ CTSL P07711 4/20 0.49
▸ CYP19A1 P11511 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.47
▸ MAPT P10636 3/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ MRGPRX4 Q96LA9 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ MAOB P27338 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ PKM P14618 1/20 0.45

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
SCHEMBL340310 0.90 MEN1 (0.56) CTSVCTSLCYP19A1KDM4ELMNA
SCHEMBL13936617 0.90 MEN1 (0.56) CTSVCTSLCYP19A1KDM4ELMNA
SCHEMBL30820477 0.88 CTSV (0.50) CTSVCTSLCYP19A1KDM4ELMNA
SCHEMBL18660057 0.88 CTSV (0.50) CTSVCTSLCYP19A1KDM4ELMNA
SCHEMBL7038843 0.86 MAOB (0.53) CTSVCTSLCYP19A1ALDH1A1MAPT
SCHEMBL8316504 0.84 CTSV (0.61) CTSVCTSLCYP19A1KDM4EALDH1A1
SCHEMBL7521404 0.82 HTT (0.56) LMNACYP3A4TSHRMAPTL3MBTL1
SCHEMBL873861 0.81 CTSV (0.60) CTSVCTSLKDM4ELMNAALDH1A1
SCHEMBL38657998 0.81 LMNA (0.64) CTSVCTSLCYP19A1KDM4ELMNA
SCHEMBL159283 0.81 CTSV (0.60) CTSVCTSLKDM4ELMNAALDH1A1

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
EP-2392565-B1 c-Met modulators and methods of use EXELIXIS INC (US) 2014-03-19 — — EP disclosed
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