SCHEMBL4038385

SCHEMBL4038385

O=C(NCc1ccco1)C1CN(C(=O)C(c2ccccc2)c2ccccc2)CCN1S(=O)(=O)c1ccc2ncccc2c1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.57
USP2 O75604 1/20 0.57
KDM4E B2RXH2 2/20 0.46
PKM P14618 4/20 0.43
CHRM1 P11229 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
GAA P10253 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL4035481 0.86 TSHR (0.49) ALDH1A1USP2KDM4ECHRM1KMT2A
SCHEMBL4033852 0.86 TSHR (0.46) ALDH1A1PKMCHRM1
SCHEMBL4035235 0.86 ALDH1A1 (0.76) ALDH1A1USP2KDM4EPKMKMT2A
SCHEMBL1383797 0.85 PKM (0.60) ALDH1A1USP2PKMKMT2AGAA
SCHEMBL4042256 0.85 POLB (0.46) ALDH1A1USP2PKMCHRM1GAA
SCHEMBL4042590 0.85 CHRM1 (0.43) ALDH1A1USP2CHRM1GAA
SCHEMBL4037487 0.84 MAPT (0.49) ALDH1A1USP2KDM4EPKMKMT2A
SCHEMBL4033312 0.84 P2RX7 (0.45) POLB
SCHEMBL4036566 0.82 ALDH1A1 (0.62) ALDH1A1USP2KDM4EPKMKMT2A
SCHEMBL4033365 0.81 SMN1; SMN2 (0.47) ALDH1A1CHRM1KMT2AGAASMN1; SMN2

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