SCHEMBL27712946

SCHEMBL27712946

COC(=O)c1cc(C2CCN(OC(=O)C(C)(C)C)CC2)sc1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 2/20 0.40
CISD2 Q8N5K1 1/20 0.34
KDM4E B2RXH2 5/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
REV1 Q9UBZ9 2/20 0.33
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
CHRM5 P08912 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
CFTR P13569 2/20 0.33
EED O75530 1/20 0.33
RBBP4 Q09028 1/20 0.33
SUZ12 Q15022 1/20 0.33

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
SCHEMBL5729820 0.90 MAPT (0.38) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL5441982 0.82 EED (0.50) ALDH1A1MAPTKDM4ENPC1RAB9A
SCHEMBL27693406 0.82 REV1 (0.35) KDM4ENPC1RAB9AREV1CHRM2
SCHEMBL2775462 0.82 ALDH1A1 (0.51) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL5429190 0.80 ALDH1A1 (0.46) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL21247632 0.78 ALDH1A1 (0.48) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL27811329 0.74 RBP4 (0.48) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL27634998 0.73 TSHR (0.45) ALDH1A1HPGDMEN1KMT2ACHRM2
SCHEMBL28123114 0.73 QDPR (0.34) ALDH1A1MAPTHPGDKDM4ENPC1
SCHEMBL5732124 0.73 EED (0.35) MAPTKDM4ENPC1RAB9AREV1

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
CN-101094845-A Substituted thiophenes AICURIS GMBH & CO KG (DE) 2007-12-26 CN disclosed