SCHEMBL11048901

SCHEMBL11048901

CN(CCC#N)c1c(Cl)cccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
ALDH1A1 P00352 7/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HTT P42858 1/20 0.37
NPC1 O15118 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TAAR1 Q96RJ0 1/20 0.35
HPGD P15428 1/20 0.35
MEN1 O00255 2/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
KDM4E B2RXH2 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
IRAK1 P51617 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
AOC3 Q16853 1/20 0.33
DRD3 P35462 1/20 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
SCHEMBL11049926 0.81 KMT2A (0.42) KMT2AALDH1A1RAB9ASMN1; SMN2HTT
SCHEMBL11050018 0.79 KMT2A (0.38) KMT2AALDH1A1RAB9ASMN1; SMN2HTT
SCHEMBL11050725 0.72 ALDH1A1 (0.49) KMT2AALDH1A1RAB9ASMN1; SMN2HTT
SCHEMBL19111974 0.71 TAAR1 (0.38) RAB9ASMN1; SMN2HTTNPC1TAAR1
SCHEMBL149631 0.71 ALDH1A1 (0.49) KMT2AALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL1361443 0.70 ALDH1A1 (0.36) KMT2AALDH1A1HTTL3MBTL1TAAR1
SCHEMBL11052679 0.68 ALDH1A1 (0.41) KMT2AALDH1A1RAB9ASMN1; SMN2HTT
SCHEMBL31436017 0.68 HTR7 (0.44) KMT2AALDH1A1RAB9ASMN1; SMN2HTT
SCHEMBL11403875 0.68 HTR7 (0.44) KMT2AALDH1A1RAB9ASMN1; SMN2HTT
SCHEMBL2037646 0.67 ALDH1A1 (0.43) KMT2AALDH1A1RAB9ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4439380-A Photopolymerizable composition, especially for dental purposes ETABLISSEMENT DENTAIRE IVOCLAR (LI) 1984-03-27 US claimed
US-4439380-A Photopolymerizable composition, especially for dental purposes ETABLISSEMENT DENTAIRE IVOCLAR (LI) 1984-03-27 US disclosed