SCHEMBL623071

SCHEMBL623071

Cc1nc2ccc(N(C(N)=O)c3cncc(C(=O)NCCCN)c3)cc2s1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.44
RAB9A P51151 9/20 0.41
SMN1; SMN2 Q16637 7/20 0.41
KDM4E B2RXH2 3/20 0.41
GLA P06280 1/20 0.41
LDHA P00338 3/20 0.41
MAPT P10636 3/20 0.39
POLB P06746 3/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 4/20 0.38
PKM P14618 1/20 0.37
HTT P42858 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL623932 0.78 RAB9A (0.59) NPC1RAB9ASMN1; SMN2KDM4EGLA
SCHEMBL625958 0.64 SMN1; SMN2 (0.60) NPC1RAB9ASMN1; SMN2KDM4EGLA
SCHEMBL17851358 0.64 RAB9A (0.56) NPC1RAB9ASMN1; SMN2KDM4EGLA
SCHEMBL17315425 0.64 LDHA (0.52) NPC1RAB9ASMN1; SMN2KDM4EGLA
SCHEMBL10083553 0.63 KDM4E (0.51) SMN1; SMN2KDM4EPOLBALDH1A1GAA
SCHEMBL12503485 0.62 LRRK2 (0.42) SMN1; SMN2KMT2ARXFP1
SCHEMBL17851347 0.62 RAB9A (0.60) NPC1RAB9ASMN1; SMN2LDHAMAPT
SCHEMBL6542853 0.62 NPC1 (0.48) NPC1RAB9ASMN1; SMN2MAPTPOLB
SCHEMBL8574737 0.61 DYRK1A (0.62) NPC1RAB9ASMN1; SMN2KDM4ELDHA
SCHEMBL3733426 0.61 RAB9A (0.62) NPC1RAB9ASMN1; SMN2KDM4ELDHA

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
WO-2012020080-A2 LIGANDS FOR ANTIBODY AND Fc-FUSION PROTEIN PURIFICATION BY AFFINITY CHROMATOGRAPHY II GRAFFINITY PHARMACEUTICALS GMBH (DE) 2012-02-16 WO disclosed