SCHEMBL28244365

SCHEMBL28244365

NCc1ccc(O)c(-n2nnc3ccccc32)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNMA1 Q12791 3/20 0.61
▸ MGLL Q99685 1/20 0.42
▸ RAB9A P51151 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ POLB P06746 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ THPO P40225 1/20 0.39
▸ CYP4Z1 Q86W10 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ GRM2 Q14416 2/20 0.38
▸ SLC9A1 P19634 1/20 0.38

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
SCHEMBL2730923 0.83 KCNMA1 (0.57) KCNMA1MGLLRAB9AKMT2APOLB
SCHEMBL11880576 0.81 KCNMA1 (0.71) KCNMA1RAB9AKMT2APOLBMAPK1
SCHEMBL29845601 0.78 KCNMA1 (0.67) KCNMA1RAB9AKMT2APOLBMAPK1
SCHEMBL890612 0.78 KCNMA1 (0.67) KCNMA1RAB9AKMT2APOLBMAPK1
SCHEMBL502853 0.78 KCNMA1 (0.67) KCNMA1RAB9AKMT2APOLBMAPK1
SCHEMBL11612145 0.78 KCNMA1 (0.67) KCNMA1RAB9AKMT2APOLBMAPK1
SCHEMBL80393 0.77 KCNMA1 (1.00) KCNMA1RAB9AKMT2APOLBMAPK1
SCHEMBL24861808 0.76 SMN1; SMN2 (0.50) KCNMA1RAB9APOLBMAPK1ATM
SCHEMBL18756953 0.75 NPC1 (0.48) KCNMA1RAB9AKMT2APOLBMAPK1
SCHEMBL1615723 0.75 KCNMA1 (0.48) KCNMA1MGLLRAB9AKMT2APOLB

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-108618970-A Milling blank, corresponding uses and method for producing indirect tooth restoration 沃柯有限公司 2018-10-09 — — CN disclosed
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