SCHEMBL6625970

SCHEMBL6625970

COC(=O)c1cccc2c1[nH]c1cccc(OCC(=O)O)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ATM Q13315 1/20 0.44
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
JAK2 O60674 1/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PIM3 Q86V86 3/20 0.42
PIM1 P11309 2/20 0.41
GLA P06280 2/20 0.40
PBRM1 Q86U86 2/20 0.40
GAA P10253 1/20 0.40
NR4A2 P43354 1/20 0.40
CREBBP Q92793 1/20 0.40
MAPT P10636 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 2/20 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
SCHEMBL8487419 0.81 PIM3 (0.44) MEN1KMT2AATMKDM4EALDH1A1
SCHEMBL8487413 0.79 JAK2 (0.52) MEN1KMT2AATMKDM4EALDH1A1
SCHEMBL6622666 0.78 LMNA (0.50) MEN1KMT2AATMKDM4EALDH1A1
SCHEMBL17950801 0.78 KDM4E (0.58) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL9485757 0.75 MPL (0.61) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL1280991 0.74 POLB (0.64) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL20919657 0.74 SMN1; SMN2 (0.54) KMT2AKDM4EALDH1A1HPGDTDP1
SCHEMBL29043472 0.73 PBRM1 (0.62) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL1194334 0.72 ALDH1A1 (0.58) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL30007166 0.72 PLA2G2A (0.46) MEN1KMT2AKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0831094-B1 FUSED POLYCYCLIC HETEROCYCLE DERIVATIVES EISAI CO LTD (JP) 2004-12-08 EP disclosed
US-5952335-A ANTITUMOR AGENTS EISAI CO., LTD. (JP) 1999-09-14 US disclosed
CN-1185781-A Fused Polycyclic Heterocyclic Derivatives EISAI CO LTD (JP) 1998-06-24 CN disclosed
EP-0831094-A1 FUSED POLYCYCLIC HETEROCYCLE DERIVATIVES Eisai Co., Ltd. (JP) 1998-03-25 EP disclosed