SCHEMBL8611242

SCHEMBL8611242

CCCCC(CC)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.64
MAPT P10636 4/20 0.64
SMN1; SMN2 Q16637 4/20 0.64
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
MAPK1 P28482 1/20 0.64
LMNA P02545 1/20 0.62
NPC1 O15118 3/20 0.59
RAB9A P51151 3/20 0.59
CYP1A2 P05177 1/20 0.59
POLB P06746 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
CA1 P00915 2/20 0.58
CA2 P00918 2/20 0.58
CA7 P43166 2/20 0.58
CA14 Q9ULX7 2/20 0.58
MAOA P21397 1/20 0.56

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
SCHEMBL8749593 0.84 LMNA (0.60) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL8745657 0.84 CHEK1 (0.74) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL25681987 0.82 KMT2A (0.72) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL3923314 0.81 MEN1 (0.89) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL10136190 0.80 NPC1 (0.67) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL11652739 0.79 MEN1 (0.86) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL12245070 0.79 LMNA (0.67) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL9697867 0.79 L3MBTL1 (0.59) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL21670265 0.77 LMNA (0.66) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL18882713 0.76 MEN1 (0.72) ALDH1A1MAPTSMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5712322-A Compositions of matter ZENECA LIMITED (GB) 1998-01-27 US disclosed
EP-0697025-B1 COMPOSITIONS OF MATTER ZENECA LTD (GB) 1997-07-09 EP disclosed
EP-0697025-A1 COMPOSITIONS OF MATTER ZENECA LTD (GB) 1996-02-21 EP disclosed
WO-1994024170-A1 COMPOSITIONS OF MATTER ZENECA LIMITED (GB) 1994-10-27 WO disclosed
US-5283160-A Containing a modified anthraquinone photoinitiator ZENECA LIMITED (GB) 1994-02-01 US disclosed