SCHEMBL10925092

SCHEMBL10925092

CSC(C#N)=Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 1/20 0.46
▸ AKR1C1 Q04828 2/20 0.42
▸ RAB9A P51151 5/20 0.42
▸ POLB P06746 4/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ PKM P14618 1/20 0.42
▸ MAPT P10636 6/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ AKR1C3 P42330 3/20 0.41
▸ AKR1C2 P52895 1/20 0.41
▸ ALDH1A1 P00352 7/20 0.40
▸ LMNA P02545 4/20 0.40
▸ MAPK1 P28482 4/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ XBP1 P17861 1/20 0.40
▸ TSHR P16473 1/20 0.39

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
SCHEMBL10925626 0.81 MAPT (0.44) POLBMAPTAKR1C3ALDH1A1LMNA
SCHEMBL10925475 0.81 AKR1C3 (0.46) AKR1C1RAB9APOLBNPC1MAPT
SCHEMBL10924367 0.81 ALDH1A1 (0.49) AKR1C1RAB9APOLBPKMMAPT
SCHEMBL10925523 0.74 MAPT (0.41) NPC1MAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL10923755 0.74 MAPT (0.41) NPC1MAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL10923477 0.74 MAPT (0.41) NPC1MAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL679854 0.72 MCL1 (0.50) MCL1RAB9APOLBNPC1PKM
SCHEMBL762892 0.72 MCL1 (0.50) MCL1RAB9APOLBNPC1PKM
SCHEMBL5168254 0.72 MCL1 (0.50) MCL1RAB9APOLBNPC1PKM
SCHEMBL60843 0.72 MAPT (0.76) MCL1RAB9APOLBNPC1PKM

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
US-4598083-A INSECTICIDES, NEMATOCIDES SCHERING AKTIENGESELLSCHAFT (DE) 1986-07-01 — — US disclosed
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