SCHEMBL28064300

SCHEMBL28064300

CCON1C(=O)c2cccc3c(Br)ccc(c23)C1=O

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 18/20 0.67
ALDH1A1 P00352 2/20 0.55
POLB P06746 2/20 0.55
RXFP1 Q9HBX9 1/20 0.55
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
NPC1 O15118 1/20 0.53
LMNA P02545 1/20 0.53
MAPT P10636 1/20 0.53
PABPC1 P11940 1/20 0.53
KMT2A Q03164 1/20 0.53

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
SCHEMBL13495353 0.83 CYP1B1 (0.63) CYP1B1ALDH1A1POLBRXFP1KDM4E
SCHEMBL7712197 0.82 CYP1B1 (0.65) CYP1B1ALDH1A1POLBRXFP1KDM4E
SCHEMBL28008362 0.81 PRMT1 (0.51) CYP1B1ALDH1A1POLBKDM4EMEN1
SCHEMBL2530062 0.80 CYP1B1 (1.00) CYP1B1ALDH1A1POLBRXFP1KDM4E
SCHEMBL31373095 0.80 CYP1B1 (1.00) CYP1B1ALDH1A1POLBRXFP1KDM4E
SCHEMBL28204060 0.80 KMT2A (0.65) CYP1B1ALDH1A1POLBKDM4EMEN1
SCHEMBL7709632 0.79 CYP1B1 (0.58) CYP1B1ALDH1A1POLBRXFP1KDM4E
SCHEMBL28132850 0.79 KMT2A (0.49) CYP1B1ALDH1A1POLBKDM4EMEN1
SCHEMBL30905987 0.78 CYP1B1 (0.69) CYP1B1ALDH1A1POLBRXFP1KDM4E
SCHEMBL4866412 0.78 CYP1B1 (0.69) CYP1B1ALDH1A1POLBRXFP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105535982-A Drug carrier with end group modified by hydrogen sulfide fluorescent probe as well as preparation and application thereof UNIV JINAN 2016-05-04 CN claimed
CN-106075710-A A kind of hemostasis syringe 成都九十度工业产品设计有限公司 2016-11-09 CN disclosed
CN-105535982-A Drug carrier with end group modified by hydrogen sulfide fluorescent probe as well as preparation and application thereof UNIV JINAN 2016-05-04 CN disclosed