SCHEMBL4038362

SCHEMBL4038362

CSCCC1NC2(CCN(S(=O)(=O)Cc3ccccc3)CC2)N(CC(=O)O)C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
NPSR1 Q6W5P4 2/20 0.41
HPGD P15428 2/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 1/20 0.41
PKM P14618 1/20 0.39
TSHR P16473 2/20 0.39
GAA P10253 2/20 0.39
CYP2C19 P33261 1/20 0.39
HSD11B1 P28845 1/20 0.39
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RAB9A P51151 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38

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
SCHEMBL4041414 0.86 KMT2A (0.46) KMT2ANPSR1HPGDMAPTALDH1A1
SCHEMBL4032834 0.86 ALDH1A1 (0.39) KMT2ANPSR1HPGDMAPTALDH1A1
SCHEMBL4039393 0.85 ATAD2 (0.42) KMT2ANPSR1MAPTALDH1A1GAA
SCHEMBL3915970 0.84 KMT2A (0.45) KMT2ANPSR1MAPTALDH1A1TSHR
SCHEMBL4036735 0.79 MAPT (0.43) MAPTALDH1A1TSHRGAACYP2C19
SCHEMBL4037038 0.77 SMN1; SMN2 (0.41) KMT2ANPSR1MAPTPKMGAA
SCHEMBL3918968 0.77 GAA (0.46) KMT2ANPSR1MAPTALDH1A1TSHR
SCHEMBL1800410 0.77 OPRM1 (0.32) MAPTALDH1A1HDAC8
SCHEMBL2942272 0.76 GAA (0.40) ALDH1A1GAACYP2C19SMN1; SMN2
SCHEMBL4037470 0.76 GAA (0.44) KMT2ANPSR1MAPTALDH1A1TSHR

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-1730144-B1 SUBSTITUTED 1,4,8-TRIAZASPIRO¬4.5 DECAN-2-ONE COMPOUNDS GRUENENTHAL GMBH (DE) 2009-06-10 EP claimed