SCHEMBL8935341

SCHEMBL8935341

CC(N)C(=O)NCc1ccc(OCc2ccncc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.53
CARM1 Q86X55 4/20 0.53
PRMT6 Q96LA8 4/20 0.53
POLB P06746 1/20 0.53
LMNA P02545 4/20 0.52
MAPK1 P28482 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
MAPT P10636 1/20 0.51
MAOB P27338 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP3A4 P08684 1/20 0.49
ADAM17 P78536 1/20 0.47
EPHX2 P34913 1/20 0.47
F2 P00734 1/20 0.47
ADAMTS4 O75173 1/20 0.47
MMP13 P45452 1/20 0.47

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
SCHEMBL8935268 0.85 MMP13 (0.58) LTA4HCARM1PRMT6POLBLMNA
Hydrochloric Acid SCHEMBL5967353 0.85 LMNA (0.63) CARM1PRMT6POLBLMNAMAPK1
SCHEMBL8935415 0.81 CARM1 (0.58) LTA4HCARM1PRMT6LMNAMAPK1
SCHEMBL8935386 0.80 CARM1 (0.51) LTA4HCARM1PRMT6
SCHEMBL9130458 0.80 MAOB (0.64) MAOB
SCHEMBL9130464 0.80 MAOB (0.64) MAOB
SCHEMBL8935264 0.79 RAB9A (0.54) LTA4HCARM1PRMT6POLBMAPK1
SCHEMBL14323980 0.78 MAOB (0.69) MAOB
SCHEMBL8935244 0.78 MAOB (0.69) MAOB
SCHEMBL8935332 0.78 GID4 (0.62) LTA4HCARM1PRMT6POLBNPC1

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