SCHEMBL6772487

SCHEMBL6772487

CC(C)(C)c1nn(-c2cccc(Cl)c2)c2c1C(=O)CCC2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 4/20 0.53
OPRM1 P35372 2/20 0.49
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 2/20 0.39
MAPK1 P28482 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA9 Q16790 1/20 0.38
PKM P14618 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL6167303 0.86 ALDH1A1 (0.45) SRCOPRM1LMNATSHRHTT
SCHEMBL6771869 0.86 RIPK2 (0.50) SRCOPRM1LMNATSHRHTT
SCHEMBL6769828 0.85 OPRM1 (0.67) SRCOPRM1LMNATSHRHTT
SCHEMBL6766480 0.81 OPRM1 (0.57) SRCOPRM1LMNAALDH1A1KMT2A
SCHEMBL6770768 0.81 SRC (0.41) SRCOPRM1LMNAALDH1A1KDM4E
SCHEMBL6769466 0.81 SRC (0.53) SRCOPRM1LMNATSHRHTT
SCHEMBL6770710 0.80 SRC (0.50) SRCOPRM1LMNATSHRHTT
SCHEMBL6776683 0.80 LMNA (0.46) SRCOPRM1LMNATSHRHTT
SCHEMBL6771814 0.79 SRC (0.60) SRCOPRM1LMNATSHRHTT
SCHEMBL6771081 0.79 ALDH1A1 (0.58) SRCOPRM1LMNATSHRHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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