SCHEMBL6680087

SCHEMBL6680087

Cn1c2ccncc2c2c3ccccc3ccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.54
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
CASP1 P29466 1/20 0.43
MAOA P21397 4/20 0.42
MAOB P27338 4/20 0.42
ACHE P22303 1/20 0.42
GPR3 P46089 1/20 0.41
ATM Q13315 1/20 0.41
UTS2R Q9UKP6 1/20 0.40
NQO2 P16083 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP11B2 P19099 2/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
TNF P01375 1/20 0.38
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38

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
SCHEMBL11499481 0.88 TOP2A (0.65) TOP2AMAPTMAOAMAOBACHE
SCHEMBL25994750 0.84 TOP2A (0.57) TOP2AMAPTMAOAMAOBACHE
SCHEMBL30772924 0.81 GPR3 (0.58) TOP2ARAB9AMAPTCASP1ACHE
SCHEMBL9535679 0.81 GPR3 (0.58) TOP2ARAB9AMAPTCASP1ACHE
SCHEMBL19271269 0.81 MAOA (0.46) TOP2ARAB9ANPC1TP53MAPT
SCHEMBL30772964 0.79 GPR3 (0.52) RAB9AMAPTCASP1GPR3ATM
SCHEMBL10023491 0.79 GPR3 (0.52) RAB9AMAPTCASP1GPR3ATM
SCHEMBL25703708 0.78 TOP2A (0.47) TOP2ARAB9ANPC1TP53MAPT
SCHEMBL29548306 0.78 GPR3 (0.64) TOP2AMAPTMAOAMAOBACHE
SCHEMBL280028 0.78 GPR3 (0.64) TOP2AMAPTMAOAMAOBACHE

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
WO-2004061416-A2 METHODS FOR ATTACHING MOLECULES GENORX, INC. (US) 2004-07-22 WO claimed
US-20040048241-A1 Methods for attaching molecules GENORX, INC. 2004-03-11 US claimed
WO-2004061133-A1 ASSOCIATION OF MOLECULES WITH ELECTRODES OF AN ARRAY OF ELECTRODES GENORX, INC. (US) 2004-07-22 WO disclosed
WO-2004061416-A2 METHODS FOR ATTACHING MOLECULES GENORX, INC. (US) 2004-07-22 WO disclosed
US-20040048241-A1 Methods for attaching molecules GENORX, INC. 2004-03-11 US disclosed
US-20030224387-A1 Association of molecules with electrodes of an array of electrodes GENORX, INC. 2003-12-04 US disclosed