SCHEMBL7001972

SCHEMBL7001972

O=C(O)c1ccc2c(c1)CC=NC2=O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 5/20 0.46
SRD5A1 P18405 4/20 0.46
ALDH1A1 P00352 3/20 0.43
TDP2 O95551 2/20 0.43
TTR P02766 2/20 0.42
PTPRC P08575 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 1/20 0.41
POLB P06746 2/20 0.39
KMT2A Q03164 1/20 0.39
HPGD P15428 1/20 0.38
ENPP2 Q13822 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP2C8 P10632 1/20 0.38
CYP2C9 P11712 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
SCHEMBL7400636 0.87 TDP2 (0.50) SRD5A2SRD5A1ALDH1A1TDP2TTR
SCHEMBL3199131 0.77 ALDH1A1 (0.47) SRD5A2SRD5A1ALDH1A1KDM4EMAPT
SCHEMBL2171782 0.74 PARP10 (0.46) SRD5A2SRD5A1TDP2PTPRC
SCHEMBL5138970 0.74 ALDH1A1 (0.47) SRD5A2SRD5A1ALDH1A1TDP2KDM4E
SCHEMBL4003853 0.72 BAZ2B (0.54) ALDH1A1KDM4EMAPTPOLBKMT2A
SCHEMBL9639127 0.71 SRD5A2 (0.47) SRD5A2SRD5A1ALDH1A1TDP2TTR
SCHEMBL1845264 0.70 SRD5A2 (0.81) SRD5A2SRD5A1ALDH1A1TTRPTPRC
SCHEMBL27506 0.70 SRD5A2 (0.81) SRD5A2SRD5A1ALDH1A1TDP2TTR
SCHEMBL31456551 0.70 SRD5A2 (0.81) SRD5A2SRD5A1ALDH1A1TDP2TTR
SCHEMBL2543811 0.70 METAP1 (0.49) ALDH1A1MAPT

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-1355886-A1 FUSED HETEROCYCLIC COMPOUNDS Takeda Chemical Industries, Ltd. (JP) 2003-10-29 EP disclosed
WO-2002062764-A9 FUSED HETEROCYCLIC COMPOUNDS TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-10-10 WO disclosed
WO-2002062764-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-08-15 WO disclosed