SCHEMBL8495772

SCHEMBL8495772

O=C(O)C1Cc2ccccc2CN1C(=O)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.61
PKM P14618 1/20 0.61
GAA P10253 2/20 0.57
ALDH1A1 P00352 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
ACE P12821 4/20 0.57
MEN1 O00255 2/20 0.54
MAPT P10636 2/20 0.54
KMT2A Q03164 2/20 0.54
PABPC1 P11940 1/20 0.53
POLB P06746 4/20 0.52
TDP1 Q9NUW8 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
CFTR P13569 2/20 0.48
APOBEC3A P31941 1/20 0.48
APOBEC3G Q9HC16 1/20 0.48
KDM4E B2RXH2 1/20 0.47
RXFP1 Q9HBX9 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
SCHEMBL29715382 0.90 LMNA (0.55) LMNAPKMGAAALDH1A1SMN1; SMN2
SCHEMBL4111979 0.90 TDP1 (0.62) LMNAPKMGAAALDH1A1SMN1; SMN2
SCHEMBL23093165 0.90 LMNA (0.55) LMNAPKMGAAALDH1A1SMN1; SMN2
SCHEMBL8698541 0.88 LMNA (0.58) LMNAPKMGAAALDH1A1SMN1; SMN2
SCHEMBL4118662 0.86 MEN1 (0.66) LMNAPKMGAASMN1; SMN2ACE
SCHEMBL8383957 0.86 MEN1 (0.66) LMNAPKMGAASMN1; SMN2ACE
SCHEMBL8722562 0.86 POLB (0.65) LMNAPKMGAAACEMEN1
SCHEMBL10849527 0.85 LMNA (0.47) LMNAPKMGAAALDH1A1SMN1; SMN2
SCHEMBL3840630 0.85 ACE (0.61) LMNAALDH1A1ACEPOLBTDP1
SCHEMBL8908771 0.85 ACE (0.61) LMNAALDH1A1ACEPOLBTDP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5952328-A MAY BE USED TO ALLEVIATE, MEDIATE, REDUCE AND/OR PREVENT DISORDERS WHICH ARE ASSOCIATED WITH ABNORMAL AND/OR ABERRANT ACTIVITY OF CYSTEINE PROTEASES AND/OR SERINE PROTEASES CEPHALON, INC. (US) 1999-09-14 US disclosed
EP-0161102-B1 ISOQUINOLINE DERIVATIVES GLAXO GROUP LIMITED (GB) 1990-02-21 EP disclosed
US-4835158-A Isoquinoline derivatives GLAXO GROUP LIMITED (GB) 1989-05-30 US disclosed
EP-0161102-A2 Isoquinoline derivatives GLAXO GROUP LIMITED (GB) 1985-11-13 EP disclosed