SCHEMBL19250165

SCHEMBL19250165

CCCn1c(-c2ccccc2)c(C=C(C#N)C#N)c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.56
LMNA P02545 6/20 0.56
MAPT P10636 5/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
KDM4E B2RXH2 4/20 0.46
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
HK1 P19367 1/20 0.43
HKDC1 Q2TB90 1/20 0.43
HPGD P15428 3/20 0.41
POLB P06746 3/20 0.41
HTT P42858 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SNCA P37840 1/20 0.41
NPSR1 Q6W5P4 1/20 0.39
USP2 O75604 1/20 0.39
ALOX15 P16050 1/20 0.39
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
SCHEMBL23581768 0.84 ALDH1A1 (0.47) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL21505495 0.83 ALDH1A1 (0.46) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL13029452 0.83 ALDH1A1 (0.60) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL29597486 0.83 ALDH1A1 (0.60) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL19250167 0.81 ALDH1A1 (0.47) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL21505836 0.80 ALDH1A1 (0.46) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL23581740 0.78 DNM1 (0.52) ALDH1A1LMNAMAPTKDM4ESMN1; SMN2
SCHEMBL23581742 0.78 DNM1 (0.52) ALDH1A1LMNAMAPTKDM4ESMN1; SMN2
SCHEMBL19250170 0.77 MEN1 (0.41) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL23607659 0.77 DNM1 (0.47) ALDH1A1LMNAMAPTMEN1KMT2A

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-20170235032-A1 OPTICAL FILM SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-08-17 US disclosed