SCHEMBL28404165

SCHEMBL28404165

Cc1cccc(NOC(=O)c2cccc(C)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 6/20 0.54
KCNK9 Q9NPC2 5/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
KCNH2 Q12809 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
GAA P10253 2/20 0.54
MAPT P10636 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
GPR17 Q13304 1/20 0.52
POLB P06746 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HSD17B10 Q99714 1/20 0.50
PARP1 P09874 1/20 0.49
KDM4E B2RXH2 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47

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
SCHEMBL28049455 0.80 NPC1 (0.48) KCNK3KCNK9MEN1KMT2AKCNH2
SCHEMBL11704874 0.79 HSD17B10 (0.58) KCNK3KCNK9MEN1KMT2AKCNH2
SCHEMBL29534771 0.78 GPR17 (0.65) KCNK3KCNK9MEN1KMT2AKCNH2
SCHEMBL28289702 0.78 GPR17 (0.65) KCNK3KCNK9MEN1KMT2AKCNH2
SCHEMBL40429 0.78 GPR17 (0.65) KCNK3KCNK9MEN1KMT2AKCNH2
SCHEMBL27417865 0.78 PARP1 (0.55) KCNK3KCNK9MEN1KMT2AKCNH2
SCHEMBL27453283 0.78 PARP1 (0.59) KCNK3KCNK9MEN1KMT2AKCNH2
SCHEMBL6644932 0.77 PARP1 (0.57) KCNK3KCNK9MEN1KMT2AKCNH2
SCHEMBL28630983 0.77 ADRB2 (0.55) KCNK3KCNK9MEN1KMT2AKCNH2
SCHEMBL44313 0.76 PARP1 (0.61) KCNK3KCNK9MEN1KMT2AKCNH2

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-111171288-B Conjugated polymer and preparation method and application thereof 中国科学院长春应用化学研究所 2022-02-22 CN disclosed
CN-111171288-A Conjugated polymer and preparation method and application thereof 中国科学院长春应用化学研究所 2020-05-19 CN disclosed