SCHEMBL27262129

SCHEMBL27262129

COc1ccc(Nc2nc(C#N)c(C#N)nc2Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 12/20 0.52
KDM4E B2RXH2 11/20 0.52
HPGD P15428 7/20 0.52
ALDH1A1 P00352 7/20 0.52
HSD17B10 Q99714 1/20 0.52
MAPT P10636 11/20 0.52
SMN1; SMN2 Q16637 7/20 0.52
KMT2A Q03164 6/20 0.52
RAB9A P51151 6/20 0.52
NPC1 O15118 5/20 0.52
MEN1 O00255 5/20 0.52
LMNA P02545 4/20 0.52
HTT P42858 2/20 0.50
TP53 P04637 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
POLB P06746 1/20 0.50
ALOX15 P16050 1/20 0.50
MAPK1 P28482 4/20 0.49
RXFP1 Q9HBX9 1/20 0.46
NPSR1 Q6W5P4 2/20 0.46

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
SCHEMBL27154138 0.89 GAA (0.58) GAAKDM4EHPGDALDH1A1HSD17B10
SCHEMBL27261813 0.83 MAPT (0.42) GAAKDM4EHPGDALDH1A1MAPT
SCHEMBL12234023 0.80 MEN1 (0.49) GAAKDM4EALDH1A1MAPTKMT2A
SCHEMBL12234206 0.80 ALDH1A1 (0.45) KDM4EALDH1A1HSD17B10MAPTKMT2A
SCHEMBL27226519 0.77 HPGD (0.36) GAAKDM4EHPGDALDH1A1MAPT
SCHEMBL16739541 0.75 MEN1 (0.56) GAAKDM4EHPGDALDH1A1HSD17B10
SCHEMBL28255592 0.74 MAPT (0.45) GAAKDM4EHPGDALDH1A1MAPT
SCHEMBL30379400 0.73 MEN1 (0.54) GAAKDM4EHPGDALDH1A1HSD17B10
SCHEMBL21596310 0.73 MEN1 (0.54) GAAKDM4EHPGDALDH1A1HSD17B10
SCHEMBL28255608 0.73 KDM4E (0.61) GAAKDM4EHPGDALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1024373-C Infrared band laser detection board for organic frequency doubling material CHINESE ACAD INST CHEMISTRY (CN) 1994-04-27 CN claimed
CN-1064937-A INFRARED BAND LASER DETECTING BOARD FOR ORGANIC DOUBLE-FREQUENCY MATERIAL CHEMICAL INST CHINESE ACADEMY (CN) 1992-09-30 CN claimed
CN-1024373-C Infrared band laser detection board for organic frequency doubling material CHINESE ACAD INST CHEMISTRY (CN) 1994-04-27 CN disclosed
CN-1064937-A INFRARED BAND LASER DETECTING BOARD FOR ORGANIC DOUBLE-FREQUENCY MATERIAL CHEMICAL INST CHINESE ACADEMY (CN) 1992-09-30 CN disclosed