SCHEMBL28306283

SCHEMBL28306283

COc1ccc(Cc2ccccn2)cc1OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.64
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
CYP1A2 P05177 2/20 0.60
CYP2C19 P33261 2/20 0.60
NPSR1 Q6W5P4 2/20 0.60
CA2 P00918 1/20 0.59
ACHE P22303 2/20 0.56
POLB P06746 2/20 0.55
ALDH1A1 P00352 5/20 0.55
KDM4E B2RXH2 2/20 0.55
L3MBTL1 Q9Y468 4/20 0.54
TP53 P04637 1/20 0.52
LMNA P02545 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
USP2 O75604 2/20 0.51
CYP3A4 P08684 2/20 0.51
PDE4A P27815 2/20 0.51
MAPK1 P28482 2/20 0.51
PDE4B Q07343 2/20 0.51

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
SCHEMBL6667314 0.86 CALM1 (0.54) ALOX15MEN1KMT2ACYP1A2CYP2C19
SCHEMBL3924901 0.81 CA2 (0.66) ALOX15MEN1KMT2ACYP1A2CYP2C19
SCHEMBL23637638 0.78 RAB9A (0.50) MEN1KMT2ACYP1A2CYP2C19ALDH1A1
SCHEMBL2751117 0.78 L3MBTL1 (0.59) MEN1KMT2ACYP1A2CYP2C19ALDH1A1
SCHEMBL5606608 0.78 ALOX15 (0.61) ALOX15MEN1KMT2ACYP1A2CYP2C19
SCHEMBL5109870 0.78 L3MBTL1 (0.48) ALOX15MEN1KMT2ACYP1A2CYP2C19
SCHEMBL2751487 0.77 ABCB1 (0.60) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL2095593 0.76 CA2 (1.00) ALOX15CYP1A2CYP2C19CA2ACHE
SCHEMBL10623955 0.76 ALOX15 (0.52) ALOX15MEN1KMT2ACYP1A2CYP2C19
SCHEMBL5115003 0.76 L3MBTL1 (0.49) ALOX15MEN1KMT2ACYP1A2CYP2C19

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-110023292-A Apoptosis inhibitor 北京生命科学研究所 2019-07-16 CN disclosed