SCHEMBL4037487

SCHEMBL4037487

O=C(NCc1ccc2c(c1)OCO2)C1CN(C(=O)C(c2ccccc2)c2ccccc2)CCN1S(=O)(=O)c1ccc2ncccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
LMNA P02545 3/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HTT P42858 3/20 0.46
RECQL P46063 1/20 0.46
KDM4E B2RXH2 1/20 0.43
ITGB3 P05106 1/20 0.42
ITGAV P06756 1/20 0.42
ALDH1A1 P00352 5/20 0.42
MAPK1 P28482 3/20 0.42
TSHR P16473 2/20 0.42
HPGD P15428 2/20 0.42
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 2/20 0.41
PKM P14618 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL4033852 0.88 TSHR (0.46) LMNAALDH1A1TSHRPKMNAMPT
SCHEMBL4032810 0.87 LMNA (0.62) MAPTLMNAMEN1KMT2AHTT
SCHEMBL4035481 0.86 TSHR (0.49) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL4038410 0.86 MAPT (0.48) MAPTLMNAMEN1KMT2AHTT
SCHEMBL4038385 0.84 ALDH1A1 (0.57) MEN1KMT2AKDM4EALDH1A1USP2
SCHEMBL4035100 0.84 MAPT (0.50) MAPTLMNAMEN1KMT2AHTT
SCHEMBL4033312 0.83 P2RX7 (0.45) L3MBTL1POLB
SCHEMBL4042590 0.82 CHRM1 (0.43) LMNAALDH1A1HPGDUSP2NAMPT
SCHEMBL4042256 0.82 POLB (0.46) LMNAALDH1A1USP2POLBPKM
SCHEMBL4035457 0.81 CHRM5 (0.45) MAPTLMNAPOLBNAMPT

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-1592389-B1 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES SERONO LAB (CH) 2009-04-22 EP claimed