SCHEMBL5203929

SCHEMBL5203929

N#Cc1c(C(N)=O)sc2c1CCCC2.NCc1cccc(C(=O)N(CC(=O)O)c2ccccc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 2/20 0.41
ALDH1A1 P00352 8/20 0.41
RAB9A P51151 5/20 0.41
HPGD P15428 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
NPC1 O15118 3/20 0.41
KDM4E B2RXH2 3/20 0.41
THRB P10828 1/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
GLA P06280 1/20 0.38
MAPT P10636 3/20 0.37
GAA P10253 2/20 0.37
USP2 O75604 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
BRCA1 P38398 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
POLB P06746 2/20 0.35

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
Trifluoroacetic Acid SCHEMBL5204634 0.86 MAPK10 (0.36) MAPK10ALDH1A1RAB9AHPGDSMN1; SMN2
Trifluoroacetic Acid SCHEMBL5211679 0.84 OPRM1 (0.32) ALDH1A1RAB9AHPGDSMN1; SMN2NPC1
Trifluoroacetic Acid SCHEMBL5209718 0.84 FLT3 (0.39) ALDH1A1RAB9AHPGDNPC1KDM4E
Trifluoroacetic Acid SCHEMBL5208796 0.83 SMN1; SMN2 (0.35) MAPK10ALDH1A1RAB9AHPGDSMN1; SMN2
Trifluoroacetic Acid SCHEMBL5211954 0.83 FLT3 (0.37) ALDH1A1RAB9AHPGDSMN1; SMN2NPC1
Trifluoroacetic Acid SCHEMBL5204674 0.82 ENPP2 (0.34) MAPK10ALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL5203984 0.82 ALDH1A1 (0.41) ALDH1A1RAB9AHPGDNPC1KDM4E
Trifluoroacetic Acid SCHEMBL5208332 0.81 FLT3 (0.35) ALDH1A1RAB9AHPGDNPC1KDM4E
Trifluoroacetic Acid SCHEMBL4812316 0.81 ALDH1A1 (0.33) MAPK10ALDH1A1RAB9AHPGDSMN1; SMN2
Trifluoroacetic Acid SCHEMBL5209056 0.80 F2 (0.34) ALDH1A1KDM4EMEN1KMT2APOLB

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
EP-1343561-B1 SERINE PROTEASE INHIBITORS TULARIK LTD (GB) 2007-02-28 EP disclosed