SCHEMBL28353161

SCHEMBL28353161

Cc1cc2c(NC(=O)c3ccc(C(F)(F)F)cc3)ccc(Br)c2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
NPSR1 Q6W5P4 2/20 0.49
XBP1 P17861 1/20 0.49
PARP1 P09874 2/20 0.45
HTT P42858 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
GPR35 Q9HC97 1/20 0.43
PTGS1 P23219 1/20 0.43
RXFP1 Q9HBX9 3/20 0.42
KDM4E B2RXH2 3/20 0.42
TRPV1 Q8NER1 2/20 0.42
MTOR P42345 1/20 0.41
LIPE Q05469 1/20 0.41
GAA P10253 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
BRD4 O60885 1/20 0.40

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
SCHEMBL28958657 0.83 PARP1 (0.42) MAPTPARP1HTTKMT2AMEN1
SCHEMBL3921082 0.76 MAPT (0.58) MAPTNPSR1XBP1HTTKMT2A
SCHEMBL18935911 0.70 MAPT (0.53) MAPTNPSR1XBP1PARP1HTT
SCHEMBL28353425 0.70 SLC6A4 (0.45) MAPTNPSR1RAB9AKDM4EBRD4
SCHEMBL19472054 0.70 MAPT (0.50) MAPTNPSR1XBP1HTTKMT2A
SCHEMBL14696066 0.69 GPR35 (0.56) MAPTNPSR1XBP1KMT2AMEN1
SCHEMBL22438868 0.68 MAPT (0.45) MAPTNPSR1XBP1HTTKMT2A
SCHEMBL3485581 0.68 SRPK1 (0.60) MAPTNPSR1XBP1HTTKMT2A
SCHEMBL3919080 0.68 GAA (0.59) MAPTPARP1HTTKMT2AMEN1
SCHEMBL20554412 0.68 KMT2A (0.60) MAPTNPSR1XBP1KMT2AMEN1

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
CN-110770211-B Alpha, beta unsaturated amide compound 协和麒麟株式会社 2023-09-19 CN disclosed
CN-110770211-A α unsaturated amide compound 协和麒麟株式会社 2020-02-07 CN disclosed