SCHEMBL10693701

SCHEMBL10693701

CC1C(=O)[N+](C)(C)Oc2cc(C(=O)c3ccc(Cl)cc3)ccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.38
MAPK1 P28482 1/20 0.38
HPGD P15428 1/20 0.38
HRH3 Q9Y5N1 1/20 0.35
MAPT P10636 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
HCRTR2 O43614 1/20 0.34
HTT P42858 1/20 0.34
ELANE P08246 1/20 0.34
NPC1 O15118 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL10693566 0.76 SRD5A2 (0.41) SRD5A2MAPK1HPGDMAPTCYP1A2
SCHEMBL10693391 0.75 MAPK1 (0.41) SRD5A2MAPK1HPGDHRH3MAPT
SCHEMBL809735 0.66 ATM (0.67) SRD5A2MAPK1HPGDL3MBTL1CNR1
SCHEMBL5518679 0.66 SRD5A2 (0.61) SRD5A2MAPK1HPGDCNR1CNR2
SCHEMBL10697158 0.65 SRD5A2 (0.80) SRD5A2MAPK1HPGDMAPTL3MBTL1
SCHEMBL9065412 0.65 SRD5A2 (0.80) SRD5A2MAPK1HPGDMAPTL3MBTL1
SCHEMBL1681512 0.65 SRD5A2 (0.80) SRD5A2MAPK1HPGDMAPTL3MBTL1
SCHEMBL51827 0.65 SRD5A2 (0.80) SRD5A2MAPK1HPGDMAPTL3MBTL1
SCHEMBL9475353 0.64 SRD5A2 (0.59) SRD5A2MAPK1HPGDCNR1CNR2
SCHEMBL12274592 0.63 SRD5A2 (0.70) SRD5A2MAPK1HPGDCNR1CNR2

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