SCHEMBL8206432

SCHEMBL8206432

Nc1sc2c(c1C(=O)NC(Cc1ccccc1)C1=COCO1)CCCC2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.54
MAPT P10636 9/20 0.52
ALDH1A1 P00352 8/20 0.52
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
HPGD P15428 5/20 0.47
LMNA P02545 2/20 0.47
GAA P10253 1/20 0.47
ALOX15 P16050 4/20 0.43
KDM4E B2RXH2 3/20 0.43
HSD17B10 Q99714 3/20 0.43
TSHR P16473 2/20 0.43
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
ALOX12 P18054 1/20 0.42
ADORA1 P30542 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
THRB P10828 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41

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
SCHEMBL7889393 0.84 KMT2A (0.52) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL8200088 0.81 FLT3 (0.44) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL8207643 0.81 MGAM (0.51) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL8206343 0.80 MAPT (0.47) MAPTALDH1A1HPGDGAAALOX15
SCHEMBL8208116 0.77 MAPT (0.50) MAPTALDH1A1MEN1KMT2ATHRB
SCHEMBL8209525 0.76 KMT2A (0.37) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL8211806 0.76 PYGL (0.36) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL8207229 0.75 ALOX15 (0.40) MAPTALDH1A1KMT2ALMNAGAA
SCHEMBL8199872 0.74 TAAR1 (0.44) TAAR1MAPTALDH1A1MEN1KMT2A
SCHEMBL8212891 0.74 ALDH1A1 (0.40) MAPTALDH1A1MEN1KMT2AHPGD

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
US-6143777-A ENZYME INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-11-07 US disclosed