SCHEMBL10692566

SCHEMBL10692566

CC1C(=O)N(C)Oc2cc(C(=O)c3ccccc3)ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
GLA P06280 1/20 0.45
HPGD P15428 3/20 0.44
ATM Q13315 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MAPT P10636 4/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
PBRM1 Q86U86 1/20 0.39
PLA2G1B P04054 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
PTGS1 P23219 2/20 0.38
CXCR1 P25024 2/20 0.38

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
SCHEMBL10693391 0.88 MAPK1 (0.41) HPGDL3MBTL1NPC1RAB9AMAPT
SCHEMBL10692962 0.72 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2GLAHPGDATM
SCHEMBL135162 0.65 ATM (1.00) ALDH1A1SMN1; SMN2HPGDATMTDP1
SCHEMBL9324919 0.65 ATM (1.00) ALDH1A1SMN1; SMN2HPGDATMTDP1
SCHEMBL1499201 0.64 ALDH1A1 (0.54) ALDH1A1HPGDATMTDP1L3MBTL1
SCHEMBL134024 0.63 ATM (0.95) ALDH1A1SMN1; SMN2HPGDATMTDP1
SCHEMBL134300 0.63 ATM (0.95) ALDH1A1SMN1; SMN2HPGDATMTDP1
SCHEMBL314267 0.63 ALDH1A1 (0.93) ALDH1A1HPGDATMTDP1L3MBTL1
SCHEMBL9066312 0.63 ALDH1A1 (0.93) ALDH1A1HPGDATMTDP1L3MBTL1
Benzophenone SCHEMBL27708529 0.62 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2GLAHPGDATM

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-4778792-A Use of 7-acyl benzoxazinones and their derivatives in treating atheromatous disorders LABORATORIES NEGMA (FR) 1988-10-18 US disclosed