SCHEMBL28078066

SCHEMBL28078066

c1ccc(-c2cccc3c2Cc2ccccc2N3)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRCP P42785 1/20 0.47
AHR P35869 1/20 0.44
PDK2 Q15119 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
HSP90AA1 P07900 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
HK1 P19367 1/20 0.44
MAPK1 P28482 1/20 0.44
RECQL P46063 1/20 0.44
RAB9A P51151 1/20 0.44
GALK1 P51570 1/20 0.44
BLM P54132 1/20 0.44
KMT2A Q03164 1/20 0.44
HKDC1 Q2TB90 1/20 0.44
SRC P12931 2/20 0.43
KDR P35968 1/20 0.41
ANPEP P15144 2/20 0.41

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
SCHEMBL29757969 0.89 NPC1 (0.50) AHRPDK2KDM4EMEN1NPC1
SCHEMBL18243946 0.81 MAPT (0.41) PRCPAHRPDK2KDM4EMEN1
SCHEMBL29268348 0.81 ABL1 (0.42) AHRPDK2KDM4EMEN1NPC1
SCHEMBL28448027 0.80 SRC (0.40) SRC
SCHEMBL27909574 0.79 CA1 (0.42) AHRPDK2KDM4EMEN1NPC1
SCHEMBL22665169 0.79 ALDH1A1 (0.36) PRCPAHRPDK2KDM4EMEN1
SCHEMBL25609629 0.79 PRCP (0.40) PRCPANPEPIL1RNERAP2ERAP1
SCHEMBL5843496 0.79 JAK2 (0.51) AHRPDK2PARP10PARP11
SCHEMBL9463233 0.78 PRCP (0.53) PRCPKDRANPEPIL1RNERAP2
SCHEMBL15196679 0.78 MAPT (0.56) AHRPDK2KDM4EMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106866941-B A kind of conjugated polymer and its preparation method and application of the side chain containing triazine group 中国科学院长春应用化学研究所 2019-06-21 CN disclosed
CN-106749320-B A kind of benzimidazole simultaneously ketone compounds and its application in OLED device 江苏三月光电科技有限公司 2019-05-24 CN disclosed
CN-105778058-B A kind of conjugated polymer and preparation method thereof 中国科学院长春应用化学研究所 2018-06-01 CN disclosed
CN-106866941-A The conjugated polymer of a kind of side chain containing triazine group and its preparation method and application 中国科学院长春应用化学研究所 2017-06-20 CN disclosed
CN-106749320-A A kind of benzimidazole and ketone compounds and its application in OLED 江苏三月光电科技有限公司 2017-05-31 CN disclosed
CN-105778058-A Conjugated polymer and preparation method thereof 中国科学院长春应用化学研究所 2016-07-20 CN disclosed