SCHEMBL3079013

SCHEMBL3079013

O=C(Nc1ccccc1)n1cnnn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.54
RAB9A P51151 3/20 0.54
SMN1; SMN2 Q16637 4/20 0.46
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
EPHX1 P07099 1/20 0.44
TSHR P16473 1/20 0.44
EPHX2 P34913 1/20 0.44
CDK9 P50750 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
NPC1 O15118 2/20 0.43
PKM P14618 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
P2RX4 Q99571 1/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL6289489 0.76 TAAR1 (0.44) TP53RAB9ASMN1; SMN2KDM4EEPHX1
SCHEMBL918756 0.73 NOTUM (0.47) RAB9ASMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL11448976 0.72 TP53 (0.74) TP53RAB9AMEN1KMT2APOLB
Acetanilide SCHEMBL5706383 0.72 NAPRT (0.59) TP53RAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL19749 0.71 ELANE (0.47) TP53RAB9ASMN1; SMN2KDM4EEPHX1
Biphenyl SCHEMBL2202263 0.70 NOTUM (0.44) TP53RAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL2885210 0.69 NPC1 (0.81) TP53RAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL1502065 0.69 KMT2A (0.50) TP53SMN1; SMN2MEN1KMT2ATSHR
SCHEMBL4502875 0.68
SCHEMBL11030408 0.68 SMN1; SMN2 (0.42) TP53RAB9ASMN1; SMN2KDM4EEPHX1

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
EP-2523663-A1 PHARMACEUTICAL USE OF MULTICYCLIC COMPOUNDS AS ANTI-AIDS AGENTS Amazonia Fitomedicamentos Ltda (BR) 2012-11-21 EP disclosed
US-7790160-B2 Method of treating CD30 positive lymphomas MEDAREX, INC. (US) 2010-09-07 US disclosed
CN-101056655-A Methods of treating CD30 positive lymphomas MEDAREX INC (US) 2007-10-17 CN disclosed
EP-1802345-A2 METHODS OF TREATING CD30 POSITIVE LYMPHOMAS Medarex, Inc. (US) 2007-07-04 EP disclosed
US-20060177442-A1 Method of treating CD30 positive lymphomas MEDAREX, INC. (US) 2006-08-10 US disclosed
WO-2006039644-A2 METHODS OF TREATING CD30 POSITIVE LYMPHOMAS MEDAREX, INC. (US) 2006-04-13 WO disclosed