SCHEMBL27705286

SCHEMBL27705286

Cc1c([N+](=O)[O-])ccc(C(C)C(=O)C(C)c2ccc([N+](=O)[O-])c(C)c2O)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.43
▸ TSHR P16473 4/20 0.41
▸ GPR35 Q9HC97 4/20 0.41
▸ GLA P06280 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ PDK1 Q15118 1/20 0.39
▸ CTSB P07858 1/20 0.38
▸ CTSH P09668 1/20 0.38
▸ MAPT P10636 3/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ ABCC3 O15438 1/20 0.36

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
SCHEMBL27582724 0.80 TDP1 (0.60) TDP1TSHRGPR35GLASMN1; SMN2
SCHEMBL27705288 0.79 TDP1 (0.42) TDP1TSHRGPR35GLASMN1; SMN2
SCHEMBL27800576 0.75 MEN1 (0.36) TSHRMAPTCYP3A4MEN1KMT2A
SCHEMBL27705590 0.75 TSHR (0.55) TDP1TSHRGPR35MAPTCYP3A4
SCHEMBL2651124 0.73 TDP1 (0.54) TDP1TSHRGPR35SMN1; SMN2CTSB
SCHEMBL1265167 0.73 TDP1 (0.54) TDP1TSHRGPR35SMN1; SMN2MAPT
SCHEMBL27474823 0.73 ALDH1A1 (0.58) TDP1TSHRGPR35MAPTMEN1
SCHEMBL28765674 0.73 GRM1 (0.37) TSHRCYP3A4KCNH2
SCHEMBL28755195 0.72 TDP1 (0.52) TDP1TSHRGPR35SMN1; SMN2CTSB
SCHEMBL480995 0.71 TSHR (0.49) TDP1TSHRGPR35GLASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101955470-B Potentiators of glutamate receptors LILLY CO ELI 2012-06-13 — — CN disclosed
CN-101955470-A Glutamate receptor potentiators LILLY CO ELI 2011-01-26 — — CN disclosed
CN-101061106-B Glutamate receptor potentiators LILLY CO ELI 2010-09-29 — — CN disclosed
CN-101061106-A Glutamate receptor potentiators LILLY CO ELI (US) 2007-10-24 — — CN disclosed
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