SCHEMBL6750468

SCHEMBL6750468

COc1ccc(C(NCCNC=O)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 9/20 0.42
KCNH2 Q12809 1/20 0.41
KCNN4 O15554 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ATM Q13315 1/20 0.41
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39

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
SCHEMBL6854126 1.00 KIF11 (0.42) KIF11KCNH2KCNN4MEN1KMT2A
SCHEMBL6751138 0.86 KIF11 (0.55) KIF11KCNN4MEN1KMT2ADRD2
SCHEMBL6844140 0.81 KCNN4 (0.44) KIF11KCNH2KCNN4MEN1KMT2A
SCHEMBL6476023 0.81 KIF11 (0.43) KIF11MEN1KMT2AATMLMNA
SCHEMBL12225852 0.80 KIF11 (0.49) KIF11KCNH2KCNN4MEN1KMT2A
SCHEMBL4363002 0.80 KIF11 (0.49) KIF11KCNH2KCNN4MEN1KMT2A
SCHEMBL3249628 0.80 KIF11 (0.43) KIF11MEN1KMT2AATMLMNA
SCHEMBL574703 0.79 KIF11 (0.47) KIF11KCNH2KCNN4DRD2DRD4
SCHEMBL6746344 0.79 KIF11 (0.71) KIF11KCNH2KCNN4SMN1; SMN2
SCHEMBL6746389 0.79 KIF11 (0.71) KIF11KCNH2KCNN4SMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0983290-B1 METHOD FOR PRODUCING POLYMERS HAVING NUCLEO-BASES AS SIDE-GROUPS MORPHOCHEM AG (DE) 2004-03-03 EP disclosed
US-6355726-B1 MULTICOMPONENT UGI REACTION; ANTISENSE AGENTS, ANTIGENS; DIAGNOSIS; CONTROLLING GENE EXPRESSION BY POLYMERIC PEPTIDE NUCLEIC ACIDS MORPHOCHEM AG (DE) 2002-03-12 US disclosed
EP-0983290-A1 METHOD FOR PRODUCING POLYMERS HAVING NUCLEO-BASES AS SIDE-GROUPS Morphochem AG (DE) 2000-03-08 EP disclosed
WO-1998051697-A2 METHOD FOR PRODUCING POLYMERS HAVING NUCLEO-BASES AS SIDE-GROUPS MORPHOCHEM AG (DE) 1998-11-19 WO disclosed