SCHEMBL12459583

SCHEMBL12459583

Nc1ccc(/C=C/CN2CCC3(CC2)CN(C(=O)c2ccnc(Cl)c2)c2ccc(F)cc23)cc1

nearest known ligand 0.88

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
PLA2G1B P04054 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
CCR3 P51677 1/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
AKT1 P31749 1/20 0.34
PDE4B Q07343 4/20 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
SCHEMBL895335 0.94 SMN1; SMN2 (0.38) SMN1; SMN2PLA2G1BATG4BCCR3HDAC1
SCHEMBL895333 0.94 SMN1; SMN2 (0.38) SMN1; SMN2PLA2G1BATG4BCCR3HDAC1
SCHEMBL29368845 0.94 SMN1; SMN2 (0.38) SMN1; SMN2PLA2G1BATG4BCCR3HDAC1
SCHEMBL12459710 0.92 SMN1; SMN2 (0.37) SMN1; SMN2PLA2G1BATG4BCCR3HDAC1
SCHEMBL12459709 0.91 SMN1; SMN2 (0.35) SMN1; SMN2PLA2G1BATG4BHDAC1HDAC6
SCHEMBL13837491 0.91 SMN1; SMN2 (0.35) SMN1; SMN2PLA2G1BATG4BHDAC1HDAC6
SCHEMBL12459607 0.91 SMN1; SMN2 (0.36) SMN1; SMN2PLA2G1BATG4BHDAC1HDAC6
SCHEMBL12459579 0.91 NOTUM (0.40) SMN1; SMN2PLA2G1BATG4BCCR3HDAC1
SCHEMBL13969000 0.90 CYP3A4 (0.39) SMN1; SMN2PLA2G1BATG4BHDAC1HDAC6
SCHEMBL12459608 0.90 SMN1; SMN2 (0.39) SMN1; SMN2HDAC1HDAC6

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
WO-2011095581-A1 S PIROINDOLINE COMPOUNDS FOR USE AS ANTHELMINTHI CS INTERVET INTERNATIONAL B.V. (NL) 2011-08-11 WO disclosed