SCHEMBL623932

SCHEMBL623932

Cc1nc2ccc(NC(=O)Nc3cncc(C(=O)NCCCN)c3)cc2s1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.59
NPC1 O15118 7/20 0.59
SMN1; SMN2 Q16637 6/20 0.59
KDM4E B2RXH2 3/20 0.59
GLA P06280 1/20 0.59
GAA P10253 2/20 0.56
POLB P06746 2/20 0.56
ALDH1A1 P00352 2/20 0.56
MAPT P10636 5/20 0.51
LDHA P00338 4/20 0.51
HTT P42858 1/20 0.50
TSHR P16473 1/20 0.48
KMT2A Q03164 1/20 0.45

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
SCHEMBL625958 0.80 SMN1; SMN2 (0.60) RAB9ANPC1SMN1; SMN2KDM4EGLA
SCHEMBL624357 0.78 RAB9A (0.51) RAB9ANPC1SMN1; SMN2KDM4EGAA
SCHEMBL623071 0.78 NPC1 (0.44) RAB9ANPC1SMN1; SMN2KDM4EGLA
SCHEMBL12503555 0.78 SMN1; SMN2 (0.56) RAB9ANPC1SMN1; SMN2KDM4EGLA
SCHEMBL627181 0.76 ROCK2 (0.54) RAB9ANPC1
SCHEMBL625756 0.74 CHRM4 (0.52) RAB9ANPC1SMN1; SMN2KDM4EGAA
SCHEMBL10083553 0.73 KDM4E (0.51) SMN1; SMN2KDM4EGAAPOLBALDH1A1
SCHEMBL623924 0.73 ABL1 (0.56) ALDH1A1MAPTHTT
SCHEMBL625959 0.72 HDAC6 (0.46) RAB9ANPC1SMN1; SMN2KDM4EGAA
SCHEMBL17315425 0.72 LDHA (0.52) RAB9ANPC1SMN1; SMN2KDM4EGLA

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