SCHEMBL9310893

SCHEMBL9310893

CC(=O)N(CC(C)C)c1ccc2c(c1)C(=O)c1ccccc1C2=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.44
RAB9A P51151 5/20 0.44
NPC1 O15118 4/20 0.44
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAOA P21397 1/20 0.44
CYP1A2 P05177 3/20 0.42
MAPK1 P28482 2/20 0.42
L3MBTL1 Q9Y468 3/20 0.41
LMNA P02545 1/20 0.41
TTR P02766 1/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
POLB P06746 1/20 0.41
ELANE P08246 1/20 0.41
TSHR P16473 1/20 0.40

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
SCHEMBL18984703 0.80 MAPK1 (0.54) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL9312227 0.78 NPC1 (0.46) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL8121494 0.77 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL6340899 0.75 MCL1 (0.43) ALDH1A1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL19731897 0.74 ALDH1A1 (0.46) ALDH1A1MAPTCYP1A2LMNACYP3A4
SCHEMBL18984663 0.73 ELANE (0.55) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL9263587 0.73 ELANE (0.50) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL4289805 0.72 NPC1 (0.55) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL19731898 0.72 MCL1 (0.56) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL22847929 0.71 MMP2 (0.55) MEN1KMT2ALMNACYP3A4NPSR1

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-5283160-A Containing a modified anthraquinone photoinitiator ZENECA LIMITED (GB) 1994-02-01 US disclosed