SCHEMBL9040802

SCHEMBL9040802

COC(=O)C(=Cc1cccnc1)c1ccccc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
MAPT P10636 2/20 0.55
USP2 O75604 1/20 0.47
KMT2A Q03164 5/20 0.46
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 2/20 0.46
CYP11B2 P19099 2/20 0.46
CYP19A1 P11511 1/20 0.46
ALDH1A1 P00352 2/20 0.43
GAA P10253 3/20 0.43
NAMPT P43490 1/20 0.42
RAB9A P51151 2/20 0.41
CYP11B1 P15538 1/20 0.41
HSP90AA1 P07900 2/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GPR55 Q9Y2T6 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
SCHEMBL9146067 1.00 LMNA (0.55) LMNASMN1; SMN2MAPTUSP2KMT2A
SCHEMBL9037814 0.85 CYP1A2 (0.50) MAPTKMT2AKDM4EMEN1CYP11B2
SCHEMBL9078732 0.85 CYP1A2 (0.50) MAPTKMT2AKDM4EMEN1CYP11B2
SCHEMBL9215284 0.85 CYP11B2 (0.51) MAPTUSP2KMT2AKDM4EMEN1
SCHEMBL9215290 0.85 CYP11B2 (0.51) MAPTUSP2KMT2AKDM4EMEN1
SCHEMBL5745570 0.79 MAPT (0.65) LMNASMN1; SMN2MAPTKMT2AKDM4E
SCHEMBL5745572 0.79 MAPT (0.65) LMNASMN1; SMN2MAPTKMT2AKDM4E
SCHEMBL3225999 0.78 MAPT (0.78) LMNASMN1; SMN2MAPTKMT2AKDM4E
SCHEMBL9040570 0.78 AKR1C3 (0.47) LMNASMN1; SMN2MAPTKMT2AKDM4E
SCHEMBL9148465 0.78 AKR1C3 (0.47) LMNASMN1; SMN2MAPTKMT2AKDM4E

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
US-5585382-A ANTICARCINOGENIC AGENTS THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1996-12-17 US disclosed
EP-0705250-A1 BIS-IMIDE POLYCYCLIC AND HETEROCYCLIC CHROMOPHORES USEFUL AS TUMORICIDALS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-04-10 EP disclosed
US-5416089-A Antitumor agent THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-05-16 US disclosed
WO-1995000490-A1 BIS-IMIDE POLYCYCLIC AND HETEROCYCLIC CHROMOPHORES USEFUL AS TUMORICIDALS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-01-05 WO disclosed