SCHEMBL6166684

SCHEMBL6166684

N#CCCn1nc(C2CC2c2ccccc2)c2c1CCC2=O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.33
TSHR P16473 2/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 2/20 0.32
ALOX15 P16050 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP1A2 P05177 1/20 0.32
GLA P06280 1/20 0.32
BRD4 O60885 1/20 0.32
EP300 Q09472 1/20 0.32
CREBBP Q92793 1/20 0.32
RIPK1 Q13546 1/20 0.31
KDM4E B2RXH2 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL6166686 1.00 MAOB (0.33) MAOBTSHRGAAMAPTALOX15
SCHEMBL6166246 0.85 HTT (0.42) KMT2AKDM4E
SCHEMBL6166242 0.85 HTT (0.42) KMT2AKDM4E
SCHEMBL6164339 0.78 HTT (0.34) BRD4EP300CREBBP
SCHEMBL6165037 0.74 MAOB (0.42) MAOBTSHRGAAMAPTALOX15
SCHEMBL6165983 0.70 ATM (0.44) MAOBTSHRGAAMAPTKMT2A
SCHEMBL6165490 0.69 LMNA (0.49) TSHRGAAMAPTKMT2ACYP1A2
SCHEMBL6167036 0.68 RIPK3 (0.39) MAOBMAPTKMT2ABRD4EP300
SCHEMBL6166254 0.68 ALDH1A1 (0.38) MAOBTSHRGAAMAPTALOX15
SCHEMBL6164086 0.67 ALDH1A1 (0.36) GAAMAPTALOX15KMT2ACYP1A2

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
EP-1177185-B1 4, 5, 6, 7-TETRAHYDROINDAZOLE DERIVATIVES AS ANTITUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2005-04-20 EP disclosed
US-6716856-B1 CELL PROLIFERATIVE DISORDERS OR ALZHEIMER'S DISEASE; REDUCED TOXICITY; CDK/CYCLIN KINASE INHIBITORY ACTIVITY PHARMACIA & TUBJOHN SPA (IT) 2004-04-06 US disclosed