SCHEMBL28148573

SCHEMBL28148573

COc1ccc(OC)c2c1nc(C)n2C

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
MAPT P10636 2/20 0.45
CASR P41180 5/20 0.43
NQO2 P16083 6/20 0.42
CYP19A1 P11511 3/20 0.42
RAB9A P51151 1/20 0.37
CRHR1 P34998 1/20 0.36
PARP15 Q460N3 1/20 0.36
PARP10 Q53GL7 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
GFER P55789 1/20 0.35

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
SCHEMBL15834811 0.75 ALDH1A1 (0.41) ALDH1A1MAPTCASRNQO2CYP19A1
SCHEMBL7707554 0.74 TLR8 (0.48) MAPTCASRNQO2RAB9A
SCHEMBL6658196 0.73 RAB9A (0.46) ALDH1A1MAPTNQO2CYP19A1RAB9A
SCHEMBL25681798 0.72 CASR (0.43) ALDH1A1MAPTCASRNQO2CYP19A1
SCHEMBL14301807 0.69 RAB9A (0.40) ALDH1A1MAPTCASRRAB9AGFER
SCHEMBL7571452 0.69 HRH3 (0.50) ALDH1A1NQO2CYP19A1TNKS2PARP2
SCHEMBL25309375 0.69 NQO2 (0.68) ALDH1A1MAPTNQO2RAB9A
SCHEMBL17897164 0.68 NQO2 (0.42) ALDH1A1MAPTCASRNQO2CYP19A1
SCHEMBL11713713 0.68 NQO2 (0.60) ALDH1A1MAPTNQO2RAB9A
SCHEMBL24601716 0.67 NPC1 (0.37) ALDH1A1MAPTCASRRAB9A

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-106832368-A A kind of high-alkali steady benzimidazole type alkaline anion-exchange membrane and preparation method thereof 大连理工大学 2017-06-13 CN disclosed