SCHEMBL5807487

SCHEMBL5807487

COc1nccc2c(C)c(C)n(CC(C)C)c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
ATM Q13315 1/20 0.38
TLR7 Q9NYK1 2/20 0.37
TLR9 Q9NR96 1/20 0.37
TLR8 Q9NR97 1/20 0.37
DYRK1A Q13627 4/20 0.34
TDP1 Q9NUW8 2/20 0.34
ACSS2 Q9NR19 1/20 0.34
MAOA P21397 1/20 0.33
TNF P01375 1/20 0.33
LITAF Q99732 1/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33

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
SCHEMBL5806831 0.87 MAOA (0.35) LMNAMEN1KMT2AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL5805951 0.86 MAOA (0.34) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL5808673 0.85 DYRK1A (0.44) MEN1KMT2AATMDYRK1AACSS2
SCHEMBL5810191 0.85 TDP1 (0.33) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL5809117 0.84 DYRK1A (0.35) KDM4EALDH1A1MAPTDYRK1AACSS2
Hydrochloric Acid SCHEMBL5811743 0.83 TDP1 (0.32) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL5806362 0.82 DYRK1A (0.46) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL5810449 0.81 KMT2A (0.38) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL5807848 0.80 TRPA1 (0.41) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL5810298 0.80 ACHE (0.48) DYRK1AACSS2MAOARPS6KA5HASPIN

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-2006025717-A1 PYRROLO[2,3-c]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2006-03-09 WO claimed
WO-2006025717-A1 PYRROLO[2,3-c]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2006-03-09 WO disclosed