SCHEMBL27705288

SCHEMBL27705288

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.42
▸ GPR35 Q9HC97 3/20 0.40
▸ TSHR P16473 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ ERN1 O75460 1/20 0.38
▸ CTSB P07858 1/20 0.37
▸ CTSH P09668 1/20 0.37
▸ GLA P06280 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ PDK1 Q15118 1/20 0.35

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
SCHEMBL27705286 0.79 TDP1 (0.43) TDP1GPR35TSHRSMN1; SMN2CTSB
SCHEMBL27582725 0.78 TDP1 (0.58) TDP1GPR35TSHRSMN1; SMN2ERN1
SCHEMBL27705592 0.74 TSHR (0.55) TDP1GPR35TSHRSMN1; SMN2MEN1
SCHEMBL28765675 0.73 GRM1 (0.33) TSHRCYP3A4
SCHEMBL17368428 0.73 ERN1 (0.59) TDP1GPR35TSHRSMN1; SMN2ERN1
SCHEMBL1265167 0.72 TDP1 (0.54) TDP1GPR35TSHRSMN1; SMN2MEN1
SCHEMBL2651124 0.72 TDP1 (0.54) TDP1GPR35TSHRSMN1; SMN2CTSB
SCHEMBL3167966 0.71 ALDH1A1 (0.50) TDP1GPR35TSHRSMN1; SMN2ERN1
SCHEMBL28755195 0.71 TDP1 (0.52) TDP1GPR35TSHRSMN1; SMN2CTSB
SCHEMBL27781739 0.70 ATM (0.51) TDP1TSHRSMN1; SMN2GLAMAPT

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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