SCHEMBL6514879

SCHEMBL6514879

NC(=O)Nc1sc(NC(=O)c2ccc(OCc3ccccc3)cc2)cc1C(N)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.53
RAB9A P51151 6/20 0.53
NPC1 O15118 5/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
CASP3 P42574 1/20 0.53
TAAR1 Q96RJ0 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
ALDH1A1 P00352 4/20 0.52
MAPT P10636 4/20 0.52
KDM4E B2RXH2 3/20 0.52
HPGD P15428 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
LMNA P02545 2/20 0.52
HTT P42858 1/20 0.52
NR1H4 Q96RI1 1/20 0.51
KDR P35968 1/20 0.51
SIRT2 Q8IXJ6 2/20 0.50
RXFP1 Q9HBX9 2/20 0.49

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
SCHEMBL6506347 0.82 IKBKB (0.61) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL6509621 0.81 SMN1; SMN2 (0.65) PARP10RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL6507728 0.78 IKBKB (0.50) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL24488964 0.78 ALDH1A1 (0.61) PARP10RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL6509110 0.78 IKBKB (0.63) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL6511724 0.77 MAPT (0.51) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL6530279 0.77 IKBKB (0.48) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL6505096 0.76 IKBKB (0.47) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL6512284 0.76 CHEK1 (0.47) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL6510633 0.76 MEN1 (0.48) RAB9ANPC1SMN1; SMN2MEN1KMT2A

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-2005105777-A1 SUBSTITUTED THIOPHENE AMIDE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA & UPJOHN COMPANY LLC (US) 2005-11-10 WO disclosed