SCHEMBL27612640

SCHEMBL27612640

Cc1cc2cccc([N+](=O)[O-])c2nc1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.51
SMN1; SMN2 Q16637 5/20 0.50
ALDH1A1 P00352 5/20 0.50
TSHR P16473 2/20 0.49
TDP1 Q9NUW8 2/20 0.48
HSD17B10 Q99714 1/20 0.47
NOS1 P29475 1/20 0.46
NOS2 P35228 1/20 0.46
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
MAPT P10636 2/20 0.43
MGAM O43451 1/20 0.43
GAA P10253 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
HPGD P15428 1/20 0.43
TXNRD1 Q16881 1/20 0.42
TXNRD3 Q86VQ6 1/20 0.42
TXNRD2 Q9NNW7 1/20 0.42

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
SCHEMBL30938980 0.84 PDE10A (0.49) PDE10ASMN1; SMN2ALDH1A1TSHRTDP1
SCHEMBL34471916 0.84 PDE10A (0.49) PDE10ASMN1; SMN2ALDH1A1TSHRTDP1
SCHEMBL11326420 0.82 PDE10A (0.61) PDE10ASMN1; SMN2ALDH1A1TSHRTDP1
SCHEMBL29098555 0.77 CYP1A2 (0.46) PDE10ASMN1; SMN2ALDH1A1TSHRTDP1
SCHEMBL7795676 0.77 PDE10A (0.60) PDE10ASMN1; SMN2ALDH1A1TSHRTDP1
SCHEMBL10390684 0.76 MEN1 (0.59) PDE10ASMN1; SMN2ALDH1A1TSHRTDP1
SCHEMBL230859 0.76 RELA (0.59) PDE10ASMN1; SMN2ALDH1A1TDP1NOS1
SCHEMBL10696733 0.75 MAPT (0.68) PDE10ASMN1; SMN2ALDH1A1TDP1HSD17B10
SCHEMBL862522 0.74 PDE3B (0.47) ALDH1A1TSHRTDP1HSD17B10MEN1
SCHEMBL30938978 0.72 ALDH1A1 (0.46) PDE10ASMN1; SMN2ALDH1A1TDP1HSD17B10

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
CN-1697650-B Non-nucleoside reverse transcriptase inhibitors ARDEA BIOSCIENCES INC 2010-11-10 CN disclosed
CN-1697650-A Non-nucleoside reverse transcriptase inhibitors RIBAPHARM INC (US) 2005-11-16 CN disclosed