SCHEMBL21086644

SCHEMBL21086644

CC1=Cc2ccccc2C(O)N1C

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
DRD2 P14416 5/20 0.33
DRD4 P21917 5/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
BRD4 O60885 1/20 0.32
CCL2 P13500 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
GPR3 P46089 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
GAA P10253 1/20 0.30
TSHR P16473 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
SCHEMBL1436330 0.81 LMNA (0.40) LMNAALDH1A1SMN1; SMN2TDP1DRD2
SCHEMBL21065789 0.76 GPR3 (0.44) LMNAALDH1A1DRD2DRD4MEN1
SCHEMBL11155913 0.68 BRD4 (0.49) LMNAALDH1A1SMN1; SMN2TDP1DRD2
SCHEMBL12629758 0.67 MAOA (0.37) LMNAALDH1A1SMN1; SMN2TDP1DRD2
SCHEMBL2687557 0.65 MAOA (0.37) MEN1KMT2AATMHDAC4HDAC7
SCHEMBL19255620 0.64 MEN1 (0.49) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL13633898 0.64 NOS1 (0.36) MEN1KMT2AATM
SCHEMBL13206625 0.63 MEN1 (0.56) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL22623757 0.63 MEN1 (0.56) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL2173695 0.63 MEN1 (0.56) LMNAALDH1A1SMN1; SMN2MEN1KMT2A

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
EP-3492464-A1 INTERMEDIATES FOR PREPARING INHIBITORS OF HEPATITIS C VIRUS Gilead Sciences, Inc. (US) 2019-06-05 EP disclosed