SCHEMBL11588815

SCHEMBL11588815

CNc1ccc2c(C)c(C)c(=O)n(C)c2n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 2/20 0.34
KDM4E B2RXH2 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 5/20 0.34
KDR P35968 1/20 0.34
PTK2 Q05397 1/20 0.34
ALDH1A1 P00352 1/20 0.33
WEE1 P30291 2/20 0.33
PKM P14618 1/20 0.33
CYP1A2 P05177 2/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
FGFR1 P11362 2/20 0.32
SRC P12931 2/20 0.32
EGFR P00533 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
MAT2A P31153 1/20 0.31

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
SCHEMBL11589595 0.75 NQO2 (0.44) NCF1KDM4EPDE3BPDE3AHSD17B10
SCHEMBL22011246 0.71 FGFR4 (0.31)
SCHEMBL18354318 0.70 MAPT (0.43) SMN1; SMN2MAPTCYP2D6MAT2A
SCHEMBL11589892 0.69 ADORA1 (0.52) KDM4ESMN1; SMN2MAPTALDH1A1CYP1A2
SCHEMBL13064335 0.62 NCF1 (0.33) NCF1CYP1A2CYP3A4
SCHEMBL30720085 0.62 NCF1 (0.44) NCF1MAPT
SCHEMBL30720083 0.62 NCF1 (0.44) NCF1MAPT
SCHEMBL5986005 0.61 TTR (0.40) KDM4EMAPTPKMSRC
SCHEMBL30979846 0.60 CDK4 (0.41) CYP1A2CYP3A4CYP2C9
SCHEMBL7835180 0.60 NCF1 (0.41) NCF1EGFR

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-4103257-A BLUE TO NEAR ULTRAVIOLET THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES DEPARTMENT OF ENERGY (US) 1978-07-25 US disclosed