SCHEMBL7672965

SCHEMBL7672965

O=C(Nc1ccccc1)c1cnn[nH]1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.60
NPC1 O15118 4/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
CDK2 P24941 2/20 0.60
ALOX15 P16050 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
TP53 P04637 1/20 0.58
HTT P42858 1/20 0.51
PTPN1 P18031 2/20 0.50
KMT2A Q03164 1/20 0.49
LMNA P02545 1/20 0.49
SIRT1 Q96EB6 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.48
NAMPT P43490 2/20 0.47
CCNA2 P20248 1/20 0.47
FLT3 P36888 1/20 0.47

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
SCHEMBL13373589 0.75 ALOX15 (1.00) RAB9ANPC1SMN1; SMN2CDK2ALOX15
SCHEMBL25060915 0.75
SCHEMBL150787 0.74 BCAT2 (0.53) RAB9ANPC1CDK2PTPN1KMT2A
SCHEMBL13446570 0.73
SCHEMBL1948472 0.72
N-Phenylbenzamide SCHEMBL31966 0.72 SIRT1 (0.83) RAB9ANPC1SMN1; SMN2HTTPTPN1
SCHEMBL1315526 0.72 PTPN1 (0.87) RAB9ANPC1HTTPTPN1KMT2A
SCHEMBL24202631 0.72 SIRT1 (0.83) RAB9ANPC1SMN1; SMN2HTTPTPN1
N-Phenylbenzamide SCHEMBL5402750 0.72 SIRT1 (0.83) RAB9ANPC1SMN1; SMN2HTTPTPN1
SCHEMBL5020210 0.71 KCNK3 (0.58) RAB9ANPC1SMN1; SMN2TP53KMT2A

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
US-6414013-B1 KINASE INHIBITORS; ANTICANCER AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2002-07-02 US disclosed