SCHEMBL18655200

SCHEMBL18655200

COC1=CC=C(NC(=O)c2c(C)nc3ccc(-c4ccccc4Br)nn23)NN1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.37
▸ FYN P06241 2/20 0.34
▸ EPHB3 P54753 1/20 0.34
▸ CSNK1D P48730 2/20 0.33
▸ CSNK1E P49674 2/20 0.33
▸ POLB P06746 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ G6PD P11413 1/20 0.33
▸ TP53 P04637 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ TGFBR1 P36897 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL18654739 0.91 POLB (0.35) MAPTFYNEPHB3CSNK1DCSNK1E
SCHEMBL18655240 0.89 CSNK1D (0.36) MAPTFYNCSNK1DCSNK1EPOLB
SCHEMBL18654429 0.89 EPHB3 (0.39) MAPTFYNEPHB3CSNK1DCSNK1E
SCHEMBL18654743 0.87 MAPT (0.36) MAPTFYNCSNK1DCSNK1EALDH1A1
SCHEMBL18654740 0.85 RIPK1 (0.40) MAPTFYNPOLBTP53KDM4E
SCHEMBL18654658 0.84 EPHB3 (0.35) MAPTEPHB3CSNK1DCSNK1EPOLB
SCHEMBL18654797 0.83 MAPT (0.37) MAPTPOLBALDH1A1TP53KDM4E
SCHEMBL18654777 0.83 FYN (0.39) MAPTFYNPOLBALDH1A1TP53
SCHEMBL18654802 0.82 ADORA2A (0.36) MAPTCSNK1DCSNK1EALDH1A1TP53
SCHEMBL18654986 0.81 MAPT (0.43) MAPTFYNPOLBALDH1A1TP53

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
EP-2768509-B1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2017-03-22 — — EP disclosed
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