SCHEMBL9836935

SCHEMBL9836935

Cc1nn(C)c2[nH]c(=O)c3c(c12)CCCCC3

nearest known ligand 0.97

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 12/20 0.97
SMN1; SMN2 Q16637 2/20 0.37
ALOX15 P16050 1/20 0.37
HPGD P15428 2/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
CYP1A2 P05177 1/20 0.33
HIF1A Q16665 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL4761629 0.98 PARP1 (1.00) PARP1SMN1; SMN2ALOX15HPGDKDM4E
SCHEMBL5522439 0.95 PARP1 (1.00) PARP1SMN1; SMN2ALOX15HPGDKDM4E
SCHEMBL9836295 0.81 PARP1 (0.69) PARP1
SCHEMBL5527862 0.80 PARP1 (0.68) PARP1
SCHEMBL4724551 0.80 PARP1 (0.63) PARP1SMN1; SMN2ALOX15HPGDPOLB
SCHEMBL5525103 0.79 PARP1 (0.67) PARP1SMN1; SMN2ALOX15HPGDKDM4E
SCHEMBL5532024 0.78 PARP1 (0.65) PARP1SMN1; SMN2ALOX15HPGDPOLB
SCHEMBL4763087 0.76 PARP1 (0.63) PARP1
SCHEMBL4724958 0.76 PARP1 (0.63) PARP1KDM4EALDH1A1HIF1A
SCHEMBL5534195 0.76 PARP1 (0.62) PARP1SMN1; SMN2ALOX15HPGDKDM4E

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-0104522-B1 NEW PYRAZOLO(3,4-B)PYRIDINE DERIVATIVES AND PROCESS FOR PRODUCING THEM GRUPPO LEPETIT S.p.A. (IT) 1991-05-29 EP disclosed