SCHEMBL8501752

SCHEMBL8501752

CON=C(C(C)=NO)c1ccc(C#N)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
MAPT P10636 1/20 0.40
LMNA P02545 1/20 0.39
NOS3 P29474 2/20 0.39
NOS1 P29475 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
RAB9A P51151 1/20 0.38
CA2 P00918 3/20 0.37
CA1 P00915 2/20 0.37
PARP15 Q460N3 1/20 0.35
PARP10 Q53GL7 1/20 0.35
PARP2 Q9UGN5 1/20 0.35
CYP2A6 P11509 1/20 0.34
CA12 O43570 1/20 0.34
CA3 P07451 1/20 0.34
CA6 P23280 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34

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
SCHEMBL7864543 1.00 ALDH1A1 (0.40) ALDH1A1MAPTLMNANOS3NOS1
SCHEMBL7873407 0.84 SMN1; SMN2 (0.37) ALDH1A1MAPTSMN1; SMN2
SCHEMBL7875330 0.84 SMN1; SMN2 (0.37) ALDH1A1MAPTSMN1; SMN2
SCHEMBL7859297 0.82 GSK3B (0.40) SMN1; SMN2NPC1L3MBTL1RAB9AGSK3B
SCHEMBL8500531 0.82 GSK3B (0.40) SMN1; SMN2NPC1L3MBTL1RAB9AGSK3B
SCHEMBL7859294 0.78 SMN1; SMN2 (0.43) ALDH1A1MAPTLMNANOS3NOS1
SCHEMBL8720211 0.78 GSK3B (0.50) ALDH1A1MAPTLMNANOS1SMN1; SMN2
SCHEMBL8501552 0.78 TRPA1 (0.43) ALDH1A1MAPTLMNASMN1; SMN2NPC1
SCHEMBL8499333 0.78 SMN1; SMN2 (0.43) ALDH1A1MAPTLMNANOS3NOS1
SCHEMBL7609636 0.78 TRPA1 (0.43) ALDH1A1MAPTLMNASMN1; SMN2NPC1

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-5929279-A Preparation of Bisoximes BASF AKTIENGESELLSCHAFT (DE) 1999-07-27 US disclosed