SCHEMBL9711735

SCHEMBL9711735

O=C1CCNC(=O)C1C(=O)c1cccc(Br)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
PARP1 P09874 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
F2RL1 P55085 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MBTD1 Q05BQ5 1/20 0.38
HTR2A P28223 1/20 0.38
HRH1 P35367 1/20 0.38
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL3 Q96JM7 2/20 0.36
L3MBTL4 Q8NA19 1/20 0.36
NFE2L2 Q16236 1/20 0.36

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
SCHEMBL9711809 0.83 PARP1 (0.42) NPC1RAB9APARP1MEN1KMT2A
SCHEMBL9711621 0.83 PARP1 (0.42) NPC1RAB9APARP1ALDH1A1HPGD
SCHEMBL9711452 0.82 NPC1 (0.44) NPC1RAB9APARP1HPGDPOLB
SCHEMBL9711491 0.80 CES2 (0.49) ALDH1A1HPGDMEN1KMT2APOLB
SCHEMBL9711489 0.79 CES2 (0.50) ALDH1A1TP53MEN1KMT2AL3MBTL1
SCHEMBL9711773 0.78 HPGD (0.43) NPC1RAB9AALDH1A1HPGDMEN1
SCHEMBL9711601 0.77 HSD11B1 (0.44)
SCHEMBL9711527 0.75 KMO (0.47) NPC1RAB9AALDH1A1TP53HPGD
SCHEMBL9711541 0.75 PARP10 (0.36) NPC1RAB9APARP1ALDH1A1MEN1
SCHEMBL9711528 0.74 F2RL1 (0.42) NPC1RAB9APARP1ALDH1A1TP53

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5114461-A Herbicides MAY & BAKER LIMITED (GB) 1992-05-19 US disclosed
EP-0278742-A2 Cyclic diones MAY & BAKER LIMITED (GB) 1988-08-17 EP disclosed