SCHEMBL6667762

SCHEMBL6667762

O=C(NCCc1ccc(Cl)cc1)c1n[nH]c2c(CN3CCSCC3)cc(CN3CCOCC3)cc2c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.42
RAB9A P51151 1/20 0.42
KDM4E B2RXH2 1/20 0.42
KCNH2 Q12809 5/20 0.42
MAPT P10636 3/20 0.42
POLA1 P09884 2/20 0.42
EGFR P00533 1/20 0.41
CDK2 P24941 1/20 0.41
MCHR1 Q99705 2/20 0.41
CYP2D6 P10635 1/20 0.41
CHRM1 P11229 1/20 0.41
HTR2A P28223 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
BACE1 P56817 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 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
SCHEMBL6667777 0.83 RAB9A (0.55) MEN1KMT2AGAARAB9AKDM4E
SCHEMBL6667472 0.83 MEN1 (0.41) MEN1KMT2AGAARAB9AKDM4E
SCHEMBL6974853 0.83 KCNH2 (0.47) RAB9AKCNH2POLA1ALDH1A1
SCHEMBL6667754 0.83 AKR1C3 (0.39) RAB9AKCNH2POLA1
SCHEMBL6666496 0.82 BACE1 (0.38) MEN1KMT2AGAARAB9AKDM4E
SCHEMBL6669289 0.81 NPC1 (0.40) MEN1KMT2AGAARAB9AKDM4E
SCHEMBL6980565 0.80 KCNH2 (0.44) KCNH2POLA1ALDH1A1
SCHEMBL6666561 0.77 MAPT (0.39) MEN1KMT2AGAARAB9AKDM4E
SCHEMBL6694571 0.77 POLA1 (0.56) MEN1KMT2ARAB9AKCNH2POLA1
SCHEMBL6670577 0.76 TSHR (0.47) KDM4EKCNH2MAPTPOLA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004019940-A1 METHOD OF PREVENTING OR TREATING ATHEROSCLEROSIS OR RESTENOSIS PHARMACIA & UPJOHN COMPANY (US) 2004-03-11 WO claimed
WO-2004019940-A1 METHOD OF PREVENTING OR TREATING ATHEROSCLEROSIS OR RESTENOSIS PHARMACIA & UPJOHN COMPANY (US) 2004-03-11 WO disclosed