SCHEMBL8935345

SCHEMBL8935345

CC(NCC(N)=O)c1ccc(Cc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.50
ACACA Q13085 1/20 0.50
F7 P08709 1/20 0.49
PLA2G10 O15496 1/20 0.47
PLA2G2A P14555 1/20 0.47
APAF1 O14727 1/20 0.46
LMNA P02545 1/20 0.44
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
ANPEP P15144 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
BCHE P06276 1/20 0.42
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
LTA4H P09960 1/20 0.41
CACNA1F O60840 1/20 0.41

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
SCHEMBL1881712 0.87 APAF1 (0.59) APAF1LMNAALDH1A1KDM4EANPEP
SCHEMBL1881711 0.87 APAF1 (0.59) APAF1LMNAALDH1A1KDM4EANPEP
SCHEMBL7402142 0.79 ACACB (0.50) ACACBACACAF7PLA2G10PLA2G2A
SCHEMBL14149712 0.78 SMN1; SMN2 (0.47) F7LMNAALDH1A1SMN1; SMN2
SCHEMBL28308274 0.74 NPC1 (0.59) LMNACYP3A4CYP2D6CYP2C19
SCHEMBL157741 0.73 APAF1 (0.62) APAF1LMNAALDH1A1ANPEPMEN1
SCHEMBL524374 0.73 APAF1 (0.62) APAF1LMNAALDH1A1ANPEPMEN1
SCHEMBL653596 0.73 APAF1 (0.62) APAF1LMNAALDH1A1ANPEPMEN1
SCHEMBL13518285 0.72 SIGMAR1 (0.58) ACACBACACAF7PLA2G10PLA2G2A
SCHEMBL7399338 0.72 SCN9A (0.55) PLA2G10PLA2G2A

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