SCHEMBL7418178

SCHEMBL7418178

CS(=O)(=O)Nc1ccccc1C(=O)Nc1sc2c(c1C(=O)NCc1ccc3c(c1)OCO3)CCCC2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.56
KDM4E B2RXH2 4/20 0.56
MEN1 O00255 4/20 0.56
HPGD P15428 4/20 0.56
ALDH1A1 P00352 3/20 0.56
TSHR P16473 3/20 0.56
GAA P10253 2/20 0.56
USP2 O75604 1/20 0.56
POLB P06746 1/20 0.56
ALOX15 P16050 1/20 0.56
CASP1 P29466 1/20 0.56
RAB9A P51151 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HSD17B10 Q99714 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
FLT3 P36888 1/20 0.49
PKM P14618 1/20 0.49
NPSR1 Q6W5P4 2/20 0.49
MAPT P10636 2/20 0.48
RORC P51449 2/20 0.47

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
SCHEMBL7426573 0.85 KDM4E (0.61) KMT2AKDM4EMEN1HPGDALDH1A1
SCHEMBL8208112 0.85 MEN1 (0.61) KMT2AKDM4EMEN1HPGDALDH1A1
SCHEMBL7423650 0.82 PDE4B (0.62) KMT2AKDM4EMEN1HPGDALDH1A1
SCHEMBL7889391 0.79 KMT2A (0.68) KMT2AKDM4EMEN1HPGDALDH1A1
SCHEMBL8207640 0.78 KDM4E (0.65) KMT2AKDM4EMEN1HPGDALDH1A1
SCHEMBL8206341 0.76 CNR2 (0.55) KMT2AKDM4EMEN1HPGDALDH1A1
SCHEMBL8200087 0.75 KDM4E (0.56) KMT2AKDM4EMEN1HPGDALDH1A1
Bicarbonate SCHEMBL7421513 0.75 ALDH1A1 (0.56) KMT2AKDM4EMEN1HPGDALDH1A1
SCHEMBL8206428 0.74 TP53 (0.58) KMT2AKDM4EMEN1HPGDALDH1A1
SCHEMBL8301386 0.71 MEN1 (0.62) KMT2AKDM4EMEN1HPGDALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934301-B1 AMINOTHIOPHENE CARBOXYLIC ACID AMIDES AND THE USE THEREOF AS PHOSPHODIESTERASE INHIBITORS MERCK PATENT GMBH (DE) 2001-06-20 EP disclosed
EP-0934301-A1 AMINOTHIOPHENE CARBOXYLIC ACID AMIDES AND THE USE THEREOF AS PHOSPHODIESTERASE INHIBITORS MERCK PATENT GmbH (DE) 1999-08-11 EP disclosed
WO-1998016521-A1 AMINOTHIOPHENE CARBOXYLIC ACID AMIDES AND THE USE THEREOF AS PHOSPHODIESTERASE INHIBITORS MERCK PATENT GMBH (DE) 1998-04-23 WO disclosed