SCHEMBL9132010

SCHEMBL9132010

O=C(O)NNc1cnc2ccccc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.61
RAB9A P51151 9/20 0.57
NPC1 O15118 8/20 0.57
SMN1; SMN2 Q16637 6/20 0.57
MAPT P10636 3/20 0.57
POLB P06746 2/20 0.57
KDM4E B2RXH2 6/20 0.56
MITF O75030 1/20 0.56
XBP1 P17861 1/20 0.56
PAX8 Q06710 1/20 0.56
KLF5 Q13887 1/20 0.56
HDAC3 O15379 1/20 0.55
HDAC4 P56524 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55

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
SCHEMBL651159 0.83 KDR (0.74) KDRRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL27777663 0.83 KDR (0.53) KDRRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL27866684 0.78 NPC1 (0.80) KDRRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL23880568 0.77 KDR (0.70) KDRRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL31306411 0.77 BCAT1 (0.64) KDRRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL995474 0.76 KDR (1.00) KDRRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL7836629 0.76 KDR (0.60) KDRRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL879571 0.75 KDM4E (0.70) KDRRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL27617535 0.75 KDR (0.68) KDRRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL3994400 0.75 NPSR1 (0.71) KDRRAB9ANPC1SMN1; 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 6 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
CN-103958509-B 6-substituted 3- (quinolin-6-ylthio) - [1,2,4] triazolo [4,3-a ] pyridine compounds as tyrosine kinase inhibitors NOVARTIS AG (CH) 2015-12-23 CN disclosed
CN-103958509-A 6-substituted 3- (quinolin-6-ylthio) - [1,2,4] triazolo [4,3-a ] pyridine compounds as tyrosine kinase inhibitors NOVARTIS AG 2014-07-30 CN disclosed
CN-101535303-B Heterocyclic compounds suitable for the treatment of diseases related to elevated lipid level NOVARTIS AG 2012-07-18 CN disclosed
CN-101535303-A Heterocyclic compounds suitable for the treatment of diseases related to elevated lipid level NOVARTIS AG (CH) 2009-09-16 CN disclosed
US-5411967-A Antiinflammatory, immunosuppressant, antitumor AMERICAN HOME PRODUCTS CORPORATION (US) 1995-05-02 US disclosed