SCHEMBL9130907

SCHEMBL9130907

O=C(O)NNc1cnc2ccccc2n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.58
HSP90AA1 P07900 1/20 0.58
HSP90AB1 P08238 1/20 0.58
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
PDGFRB P09619 1/20 0.54
PDGFRA P16234 1/20 0.54
ALDH1A1 P00352 3/20 0.51
HPGD P15428 1/20 0.51
ALOX15 P16050 1/20 0.51
HSD17B10 Q99714 1/20 0.51
GAA P10253 2/20 0.50
POLB P06746 1/20 0.50
RHOA P61586 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CASP3 P42574 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
ATIC P31939 1/20 0.44

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
SCHEMBL11621161 0.81 ALDH1A1 (0.58) KDM4EHSP90AA1HSP90AB1NPC1RAB9A
SCHEMBL28012650 0.80 GAA (0.57) KDM4EHSP90AA1HSP90AB1NPC1RAB9A
SCHEMBL26677370 0.77 NPC1 (0.59) KDM4EHSP90AA1HSP90AB1NPC1RAB9A
SCHEMBL9828989 0.75 KDM4E (0.61) KDM4EHSP90AA1HSP90AB1NPC1RAB9A
SCHEMBL28314061 0.74 PDGFRB (0.56) KDM4EHSP90AA1HSP90AB1NPC1RAB9A
SCHEMBL27340469 0.74 PDGFRB (0.56) KDM4EHSP90AA1HSP90AB1NPC1RAB9A
SCHEMBL8515227 0.74 KDM4E (0.70) KDM4EHSP90AA1HSP90AB1NPC1RAB9A
SCHEMBL28682772 0.73 KDM4E (0.64) KDM4EHSP90AA1HSP90AB1NPC1RAB9A
SCHEMBL9132010 0.73 KDR (0.61) KDM4ENPC1RAB9AALDH1A1HSD17B10
SCHEMBL29186499 0.72 KDM4E (0.68) KDM4EHSP90AA1HSP90AB1NPC1RAB9A

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-5411967-A Antiinflammatory, immunosuppressant, antitumor AMERICAN HOME PRODUCTS CORPORATION (US) 1995-05-02 US claimed
US-5411967-A Antiinflammatory, immunosuppressant, antitumor AMERICAN HOME PRODUCTS CORPORATION (US) 1995-05-02 US disclosed