SCHEMBL28372124

SCHEMBL28372124

COc1cc2c(cn1)c1cc(OC)c(O)cc1n2C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.35
NNMT P40261 1/20 0.35
HTT P42858 1/20 0.34
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
RECQL P46063 1/20 0.33
HSD17B10 Q99714 1/20 0.33
AURKB Q96GD4 2/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 0.33
TUBB8 Q3ZCM7 1/20 0.33

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
SCHEMBL20580940 0.84 GABRG2 (0.41) DPP4NNMTSMN1; SMN2
SCHEMBL28375857 0.81 MAOA (0.39) HTTKDM4ELMNACYP3A4MAPT
SCHEMBL28372514 0.76 EHMT2 (0.50) HTTKDM4EALDH1A1TSHR
SCHEMBL28375855 0.73 LMNA (0.36) HTTKDM4ELMNACYP3A4MAPT
SCHEMBL28373125 0.70 CYP1A2 (0.38) DPP4HTTKDM4ELMNACYP3A4
SCHEMBL28371735 0.69 QDPR (0.34) GAA
SCHEMBL20581057 0.69 GABRG2 (0.48) DPP4KDM4ELMNACYP3A4MAPT
SCHEMBL28885625 0.69 KDM4E (0.38) KDM4ELMNAMAPTAURKAGAA
SCHEMBL20581869 0.68 ERN1 (0.39) HTTKDM4ELMNACYP3A4MAPT
SCHEMBL22439223 0.68 NNMT (0.42) NNMTCYP3A4MAPTTUBB4ATUBB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110997671-A Azaindole compounds as histone methyltransferase inhibitors 全球血液疗法股份有限公司 2020-04-10 CN disclosed