SCHEMBL22995498

SCHEMBL22995498

Cc1cccc(N=Nc2ccc(N(C#N)C#N)cc2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 8/20 0.68
▸ MEN1 O00255 7/20 0.68
▸ NPC1 O15118 6/20 0.68
▸ RAB9A P51151 5/20 0.68
▸ TDP1 Q9NUW8 3/20 0.68
▸ CASP3 P42574 2/20 0.68
▸ SENP8 Q96LD8 2/20 0.68
▸ SENP7 Q9BQF6 2/20 0.68
▸ SENP6 Q9GZR1 2/20 0.68
▸ NSD2 O96028 1/20 0.68
▸ MAPK1 P28482 4/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ MAPT P10636 5/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ CA12 O43570 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ CA9 Q16790 2/20 0.40
▸ LMNA P02545 2/20 0.40

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
SCHEMBL9796774 0.82 TDP1 (0.55) KMT2AMEN1NPC1RAB9ATDP1
SCHEMBL410348 0.81 NPC1 (1.00) KMT2AMEN1NPC1RAB9ATDP1
SCHEMBL29539676 0.81 NPC1 (1.00) KMT2AMEN1NPC1RAB9ATDP1
SCHEMBL410347 0.81 NPC1 (1.00) KMT2AMEN1NPC1RAB9ATDP1
SCHEMBL30471681 0.78 NPC1 (0.69) KMT2AMEN1NPC1RAB9ATDP1
SCHEMBL26712504 0.78 NPC1 (0.69) KMT2AMEN1NPC1RAB9ATDP1
SCHEMBL10814151 0.78 NPC1 (0.69) KMT2AMEN1NPC1RAB9ATDP1
SCHEMBL11981455 0.78 MEN1 (0.67) KMT2AMEN1NPC1RAB9ATDP1
SCHEMBL1405327 0.78 MEN1 (0.67) KMT2AMEN1NPC1RAB9ATDP1
SCHEMBL30332449 0.78 MEN1 (0.67) KMT2AMEN1NPC1RAB9ATDP1

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-3780207-A1 NOVEL MEDIATOR Kikkoman Corporation (JP) 2021-02-17 — — EP disclosed
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