SCHEMBL28601048

SCHEMBL28601048

CCC(Br)c1oc(Br)cc1C(=O)OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.38
HTT P42858 2/20 0.38
HSD17B10 Q99714 4/20 0.37
ALDH1A1 P00352 4/20 0.37
MAPT P10636 2/20 0.37
MAPK1 P28482 2/20 0.37
CASP1 P29466 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
CASP7 P55210 1/20 0.37
KDM4E B2RXH2 4/20 0.36
CA12 O43570 3/20 0.36
CA2 P00918 3/20 0.36
CA7 P43166 3/20 0.36
CA9 Q16790 3/20 0.36
CA14 Q9ULX7 3/20 0.36
CA1 P00915 2/20 0.36
PDK2 Q15119 1/20 0.36
PDK4 Q16654 1/20 0.36
LMNA P02545 2/20 0.35
CA3 P07451 1/20 0.35

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
SCHEMBL28593395 0.85 ZDHHC7 (0.40) KMT2AHTTHSD17B10ALDH1A1MAPT
SCHEMBL28593397 0.83 KMT2A (0.40) KMT2AHTTHSD17B10ALDH1A1MAPT
SCHEMBL28592709 0.74 KMT2A (0.41) KMT2AHTTHSD17B10ALDH1A1MAPT
SCHEMBL625321 0.73 KMT2A (0.45) KMT2AHTTHSD17B10ALDH1A1MAPT
SCHEMBL3095786 0.73 KMT2A (0.40) KMT2AHTTHSD17B10ALDH1A1MAPT
SCHEMBL3109691 0.73 HSD17B10 (0.38) KMT2AHTTHSD17B10ALDH1A1MAPT
SCHEMBL21787943 0.72 BRD4 (0.45) KMT2AHTTALDH1A1KDM4ECA12
SCHEMBL28595161 0.72 HSD17B10 (0.42) KMT2AHTTHSD17B10ALDH1A1MAPT
SCHEMBL1598651 0.72 ALDH1A1 (0.46) KMT2AHTTHSD17B10ALDH1A1MAPT
SCHEMBL1674226 0.71 KMT2A (0.41) KMT2AHTTHSD17B10ALDH1A1MAPT

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
CN-110305143-B Furan [2,3-c ] pyridine derivative and preparation method and application thereof 济南新科医药科技有限公司 2021-03-09 CN disclosed