SCHEMBL28110180

SCHEMBL28110180

COc1ccc(CCn2nc(-c3ccc(F)cc3)cc2C)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
LMNA P02545 1/20 0.48
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
NCOR2 Q9Y618 1/20 0.47
HPGD P15428 2/20 0.46
RXFP1 Q9HBX9 1/20 0.46
ALDH1A1 P00352 2/20 0.46
POLB P06746 2/20 0.45
TP53 P04637 3/20 0.44
MDM2 Q00987 2/20 0.44

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
SCHEMBL28109712 0.88 SMN1; SMN2 (0.55) SMN1; SMN2LMNAHPGDALDH1A1POLB
SCHEMBL28109708 0.88 PDE4A (0.50) SMN1; SMN2LMNAHPGDALDH1A1TP53
SCHEMBL28110177 0.83 PDE4B (0.57) SMN1; SMN2LMNAHDAC3HDAC4HDAC1
SCHEMBL28531912 0.74 HDAC6 (0.80) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28109719 0.69 HDAC3 (0.64) SMN1; SMN2LMNAHDAC3HDAC4HDAC1
SCHEMBL3048584 0.68 HPGD (0.43) SMN1; SMN2LMNAHDAC3HDAC4HDAC1
SCHEMBL3946668 0.67 HSP90AA1 (0.46) SMN1; SMN2LMNAALDH1A1POLBPDE4A
SCHEMBL28109706 0.67 L3MBTL1 (0.45) SMN1; SMN2LMNARXFP1ALDH1A1POLB
SCHEMBL16202036 0.67 ALDH1A1 (0.52) SMN1; SMN2LMNAHDAC3HDAC4HDAC1
SCHEMBL16641094 0.66 CYP19A1 (0.77) ALDH1A1POLBHSP90AA1ABCB1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106061975-A Pyrazolo[1,5-a]pyrimidines as antiviral compounds 阿波德穆斯公司 2016-10-26 CN claimed
CN-106061975-B Pyrazolo [1,5-A] pyrimidine as antiviral compound 库洛维公司 2019-09-24 CN disclosed
CN-106061975-A Pyrazolo[1,5-a]pyrimidines as antiviral compounds 阿波德穆斯公司 2016-10-26 CN disclosed