SCHEMBL10693672

SCHEMBL10693672

Cc1nc(=O)oc2cc(C(=O)CCCBr)ccc12

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 6/20 0.35
WNT3A P56704 6/20 0.35
HPGD P15428 2/20 0.35
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
KCNA3 P22001 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TTR P02766 1/20 0.32
MAPT P10636 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
IKBKE Q14164 1/20 0.32
TBK1 Q9UHD2 1/20 0.32

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
SCHEMBL10693651 0.89 CTNNB1 (0.36) CTNNB1WNT3AHPGDALDH1A1KDM4E
SCHEMBL10692247 0.87 HPGD (0.43) CTNNB1WNT3AHPGDALDH1A1KDM4E
SCHEMBL10695779 0.74 ALDH1A1 (0.49) HPGDALDH1A1KDM4EMEN1KMT2A
SCHEMBL10693284 0.73 IKBKE (0.37) HPGDALDH1A1KDM4EMEN1KMT2A
SCHEMBL10693571 0.73 TTR (0.45) HPGDALDH1A1KDM4EMEN1KMT2A
SCHEMBL8787295 0.69 ALDH1A1 (0.56) HPGDALDH1A1KDM4EMEN1KMT2A
SCHEMBL4892442 0.69 KDM4E (0.66) ALDH1A1KDM4EPOLB
SCHEMBL10691949 0.68 MAPT (0.52) ALDH1A1MEN1KMT2APOLBRAB9A
SCHEMBL10693671 0.68 MAOB (0.53) MEN1KMT2A
SCHEMBL11843291 0.67 XDH (0.45) HPGDALDH1A1NPC1RAB9ASMN1; SMN2

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