SCHEMBL8935268

SCHEMBL8935268

CC(N)C(=O)NCc1ccc(OCc2cccnc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.58
SMN1; SMN2 Q16637 4/20 0.56
HTT P42858 2/20 0.56
ACACB O00763 1/20 0.55
MAPK1 P28482 3/20 0.53
LMNA P02545 2/20 0.53
RECQL P46063 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
PKM P14618 1/20 0.52
KMT2A Q03164 1/20 0.52
LTA4H P09960 1/20 0.52
CARM1 Q86X55 1/20 0.51
PRMT6 Q96LA8 1/20 0.51
POLB P06746 1/20 0.51
HPGD P15428 1/20 0.51
ALDH1A1 P00352 2/20 0.50

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
SCHEMBL8935341 0.85 LTA4H (0.53) MMP13SMN1; SMN2MAPK1LMNACYP3A4
SCHEMBL7395873 0.81 MAOB (0.65) MMP13ACACBMAPK1
SCHEMBL9130086 0.81 MAOB (0.65) MMP13ACACBMAPK1
SCHEMBL8935259 0.81 CYP3A4 (0.60) MMP13SMN1; SMN2HTTACACBMAPK1
SCHEMBL8935415 0.80 CARM1 (0.58) SMN1; SMN2MAPK1LMNACYP1A2CYP2D6
SCHEMBL8935332 0.79 GID4 (0.62) SMN1; SMN2HTTCYP1A2CYP2D6CYP2C9
SCHEMBL8935244 0.79 MAOB (0.69)
SCHEMBL14323980 0.79 MAOB (0.69)
SCHEMBL7375941 0.76 ACACB (0.58) MMP13SMN1; SMN2HTTACACBMAPK1
SCHEMBL8935386 0.76 CARM1 (0.51) KMT2ALTA4HCARM1PRMT6

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-5502079-A TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS FARMITALIA CARLO ERBA S.R.L. (IT) 1996-03-26 US disclosed