SCHEMBL2229883

SCHEMBL2229883

CCc1ccccc1NC1CC=C(C#N)C1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 4/20 0.33
GAA P10253 3/20 0.33
MAPT P10636 1/20 0.33
LMNA P02545 3/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA1 P30542 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ATM Q13315 1/20 0.33
MPI P34949 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
CYP3A4 P08684 1/20 0.32
RECQL P46063 1/20 0.32

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
SCHEMBL2227755 0.86 KMT2A (0.41) KMT2AALDH1A1GAAMAPTLMNA
SCHEMBL2229081 0.81 MAPT (0.35) KMT2AALDH1A1GAAMAPTLMNA
SCHEMBL28794976 0.74 GRM5 (0.35) KMT2AALDH1A1MAPTLMNA
SCHEMBL2227867 0.72 BRD4 (0.43) KMT2AALDH1A1GAAMAPTLMNA
SCHEMBL2229020 0.70 KMT2A (0.41) KMT2AALDH1A1GAAMAPTLMNA
SCHEMBL24611548 0.65 KMT2A (0.40) KMT2AALDH1A1GAAMAPTLMNA
SCHEMBL6901376 0.65 ALDH1A1 (0.44) KMT2AALDH1A1GAAMAPT
SCHEMBL20552309 0.63 TSHR (0.49) ALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL9281088 0.61 GAA (0.53) KMT2AALDH1A1GAAMAPTLMNA
SCHEMBL1548694 0.61 ALDH1A1 (0.54) KMT2AALDH1A1GAAMAPTSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011091346-A2 POLYMERS FUNCTIONALIZED WITH NITRILE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP BRIDGESTONE CORPORATION (JP) 2011-07-28 WO disclosed