SCHEMBL10877982

SCHEMBL10877982

CC(C)C(=O)NNc1ccc(Cl)nn1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
ALDH1A1 P00352 8/20 0.48
GAA P10253 5/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAPT P10636 4/20 0.43
KDM4E B2RXH2 3/20 0.41
HTT P42858 2/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HTR1A P08908 1/20 0.38
PTGS2 P35354 1/20 0.38
LMNA P02545 2/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
IDO1 P14902 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
SCHEMBL20203823 0.73 ALDH1A1 (0.44) ALDH1A1GAASMN1; SMN2KDM4EHTT
SCHEMBL23571568 0.72 POLB (0.55) POLBALDH1A1GAASMN1; SMN2MAPT
SCHEMBL9910507 0.72 AKR1C3 (0.43) POLBALDH1A1GAASMN1; SMN2MAPT
SCHEMBL20204010 0.71 POLB (0.54) POLBALDH1A1GAAMAPTKDM4E
SCHEMBL6935947 0.70 GAA (0.56) POLBALDH1A1GAAMAPTKDM4E
SCHEMBL20204005 0.70 POLB (0.49) POLBALDH1A1GAASMN1; SMN2MAPT
SCHEMBL10858393 0.70 HTR1A (0.46) POLBALDH1A1GAASMN1; SMN2MAPT
SCHEMBL23571322 0.70 POLB (0.52) POLBALDH1A1GAASMN1; SMN2MAPT
SCHEMBL3152711 0.69 PTK2 (0.55) POLBALDH1A1GAASMN1; SMN2MAPT
SCHEMBL247482 0.69 GAA (0.51) POLBALDH1A1GAASMN1; SMN2MAPT

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
JP-61151177-A None JP disclosed
JP-S61151177-A NOVEL HYDRAZIDE DERIVATIVE AND DRUG CONTAINING SAME AS ACTIVE INGREDIENT OTA SEIYAKU KK 1986-07-09 JP disclosed