SCHEMBL627404

SCHEMBL627404

CCc1nnc(NC(=O)Nc2cccc(C(=O)NCCCN)c2)s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.59
SMN1; SMN2 Q16637 6/20 0.59
KMT2A Q03164 6/20 0.59
NPC1 O15118 5/20 0.59
MEN1 O00255 5/20 0.59
KDM4E B2RXH2 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.52
TP53 P04637 1/20 0.52
POLB P06746 4/20 0.51
MAPT P10636 5/20 0.49
ALDH1A1 P00352 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
LMNA P02545 2/20 0.47
HTT P42858 2/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
OPRK1 P41145 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HPGD P15428 1/20 0.47
MITF O75030 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
SCHEMBL10083551 0.74 PAX8 (0.52) RAB9ASMN1; SMN2KMT2ANPC1MEN1
SCHEMBL625381 0.73 ADORA3 (0.62) RAB9ASMN1; SMN2KMT2ANPC1MEN1
SCHEMBL8623427 0.73 EPHX2 (0.59) SMN1; SMN2KMT2AMEN1TP53MAPT
SCHEMBL27308598 0.73 TP53 (0.54) RAB9ASMN1; SMN2KMT2ANPC1MEN1
SCHEMBL16151772 0.71 SMN1; SMN2 (0.69) RAB9ASMN1; SMN2KMT2ANPC1KDM4E
SCHEMBL625053 0.71 MEN1 (0.58) RAB9ASMN1; SMN2KMT2ANPC1MEN1
SCHEMBL18078704 0.70 SMN1; SMN2 (0.73) RAB9ASMN1; SMN2KMT2ANPC1KDM4E
Hydrochloric Acid SCHEMBL16428996 0.69 SMN1; SMN2 (0.67) SMN1; SMN2KMT2AKDM4EL3MBTL1LMNA
SCHEMBL27806626 0.69 LMNA (0.67) RAB9ASMN1; SMN2KMT2ANPC1MEN1
SCHEMBL14962259 0.69 KDM4E (0.64) RAB9ASMN1; SMN2KMT2ANPC1MEN1

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