SCHEMBL18654428

SCHEMBL18654428

Cc1nc2ccc(-c3ccccc3Cl)nn2c1C(=O)NC1=CC=C(O)NN1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ EPHB3 P54753 2/20 0.41
▸ CSNK1D P48730 4/20 0.35
▸ CSNK1E P49674 4/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MAPT P10636 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ TGFBR1 P36897 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ THRB P10828 1/20 0.34
▸ DPP4 P27487 1/20 0.33
▸ DPP8 Q6V1X1 1/20 0.33
▸ DPP9 Q86TI2 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ NPSR1 Q6W5P4 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
SCHEMBL18654429 0.88 EPHB3 (0.39) EPHB3CSNK1DCSNK1EKMT2ANPC1
SCHEMBL18654723 0.86 EPHB3 (0.40) EPHB3CSNK1DCSNK1EKMT2ANPC1
SCHEMBL18654657 0.82 KDM4E (0.40) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL18655239 0.80 CSNK1D (0.38) EPHB3CSNK1DCSNK1EMAPTALDH1A1
SCHEMBL14896947 0.79 EPHB3 (0.40) EPHB3CSNK1DCSNK1EKMT2ANPC1
SCHEMBL18654739 0.79 POLB (0.35) EPHB3CSNK1DCSNK1EMAPTALDH1A1
SCHEMBL14896803 0.79 EPHB3 (0.41) EPHB3CSNK1DCSNK1EKMT2ANPC1
SCHEMBL18654415 0.78 TP53 (0.36) CSNK1DCSNK1ETP53
SCHEMBL18655240 0.77 CSNK1D (0.36) CSNK1DCSNK1ESMN1; SMN2MAPTALDH1A1
SCHEMBL18655200 0.77 MAPT (0.37) EPHB3CSNK1DCSNK1EKMT2ANPC1

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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