SCHEMBL11512955

SCHEMBL11512955

N#CCc1nc2c([N+](=O)[O-])cccc2s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
HPGD P15428 2/20 0.48
PDE10A Q9Y233 1/20 0.41
TXNRD1 Q16881 1/20 0.40
TXNRD3 Q86VQ6 1/20 0.40
TXNRD2 Q9NNW7 1/20 0.40
NOS1 P29475 2/20 0.38
NOS2 P35228 2/20 0.38
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
LIPG Q9Y5X9 2/20 0.36
MAPT P10636 3/20 0.36
KDM4E B2RXH2 3/20 0.36
POLB P06746 2/20 0.36
RAB9A P51151 2/20 0.36
USP2 O75604 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
SCHEMBL15880366 0.81 PDE10A (0.44) ALDH1A1PDE10ATXNRD1TXNRD3TXNRD2
SCHEMBL2381198 0.78 PSMB8 (0.56) ALDH1A1HPGDPDE10ATXNRD1TXNRD3
SCHEMBL9037145 0.75 PSMB8 (0.59) ALDH1A1HPGDPDE10AMEN1KMT2A
SCHEMBL11516404 0.75 ALDH1A1 (0.51) ALDH1A1HPGDMEN1KMT2AGAA
SCHEMBL31122218 0.74 PDE10A (0.49) ALDH1A1HPGDPDE10ATXNRD1TXNRD3
SCHEMBL10426653 0.74 PDE10A (0.49) ALDH1A1HPGDPDE10ATXNRD1TXNRD3
SCHEMBL4920165 0.74 ALDH1A1 (0.50) ALDH1A1PDE10ATXNRD1TXNRD3TXNRD2
SCHEMBL15880740 0.73 TDP1 (0.48) ALDH1A1PDE10ATXNRD1TXNRD3TXNRD2
SCHEMBL1011902 0.73 ALDH1A1 (0.53) ALDH1A1PDE10ATXNRD1TXNRD3TXNRD2
SCHEMBL10666612 0.73 PDE10A (0.47) ALDH1A1HPGDPDE10ATXNRD1TXNRD3

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
US-4146712-A PROCESS FOR THE MANUFACTURE OF COUMARIN DYES CIBA-GEIGY CORPORATION (US) 1979-03-27 US disclosed
US-4064136-A FROM A NITRILE, AN ALCOHOL AND ORTHO-SUBSTITUTED AROMATIC AMINE CIBA-GEIGY AG (CH) 1977-12-20 US disclosed