SCHEMBL19842389

SCHEMBL19842389

N#Cc1cccc2c3cccc(C#N)c3n(-c3cccc4c3C(=O)N(c3ccc(-c5ccccc5)cc3)C4O)c12

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 1/20 0.37
▸ RAB9A P51151 3/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ PDE6D O43924 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ GRIN2B Q13224 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ AR P10275 1/20 0.31

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
SCHEMBL24288920 0.88 MEN1 (0.38) RAB9AALDH1A1HSD17B10SMN1; SMN2HIF1A
SCHEMBL19842419 0.86 GRIN2B (0.32) SMN1; SMN2HIF1ACA1CA2GRIN2B
SCHEMBL24282769 0.83 RAB9A (0.37) P2RX3RAB9AALDH1A1HSD17B10SMN1; SMN2
SCHEMBL19850215 0.83 RAB9A (0.36) RAB9AALDH1A1HSD17B10SMN1; SMN2PDE6D
SCHEMBL23476405 0.83 MEN1 (0.36) ALDH1A1SMN1; SMN2HIF1ACA1CA2
SCHEMBL23476501 0.82 MEN1 (0.33) SMN1; SMN2HIF1ACA1CA2MEN1
SCHEMBL19842775 0.82 RAB9A (0.33) P2RX3RAB9AALDH1A1HSD17B10SMN1; SMN2
SCHEMBL19842383 0.80 TDP2 (0.35) RAB9AALDH1A1HSD17B10SMN1; SMN2NPC1
SCHEMBL19850278 0.80 FASN (0.34) RAB9AALDH1A1HSD17B10SMN1; SMN2NPC1
SCHEMBL19848951 0.80 RAB9A (0.33) P2RX3RAB9AALDH1A1HSD17B10SMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018024725-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-02-08 — — WO disclosed
EP-3279194-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-02-07 — — EP disclosed
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