SCHEMBL21704807

SCHEMBL21704807

C=C(C)/C(C#N)=C/c1c(-c2ccccc2)n(C)c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
LMNA P02545 3/20 0.53
SMN1; SMN2 Q16637 4/20 0.45
HK1 P19367 1/20 0.45
HKDC1 Q2TB90 1/20 0.45
HSD17B10 Q99714 2/20 0.45
HPGD P15428 1/20 0.45
CYP2C19 P33261 1/20 0.43
MAPT P10636 5/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TEK Q02763 1/20 0.41
HTT P42858 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAOA P21397 1/20 0.40
PIK3CA P42336 1/20 0.39
MTOR P42345 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
SCHEMBL23691800 0.88 ALDH1A1 (0.57) ALDH1A1LMNASMN1; SMN2HK1HKDC1
SCHEMBL23581773 0.86 ALDH1A1 (0.58) ALDH1A1LMNASMN1; SMN2HK1HKDC1
SCHEMBL19051311 0.86 ALDH1A1 (0.58) ALDH1A1LMNASMN1; SMN2HK1HKDC1
SCHEMBL23384870 0.84 ALDH1A1 (0.48) ALDH1A1LMNASMN1; SMN2HK1HKDC1
SCHEMBL23691790 0.84 ALDH1A1 (0.56) ALDH1A1LMNASMN1; SMN2HK1HKDC1
SCHEMBL13029452 0.83 ALDH1A1 (0.60) ALDH1A1LMNASMN1; SMN2HK1HKDC1
SCHEMBL29597486 0.83 ALDH1A1 (0.60) ALDH1A1LMNASMN1; SMN2HK1HKDC1
SCHEMBL23691892 0.82 ALDH1A1 (0.53) ALDH1A1LMNASMN1; SMN2HK1HKDC1
SCHEMBL23607659 0.81 DNM1 (0.47) ALDH1A1LMNASMN1; SMN2MAPTKDM4E
SCHEMBL23691888 0.80 PTGDR2 (0.53) ALDH1A1LMNASMN1; SMN2HK1HKDC1

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-2020031830-A1 RESIN AND PRESSURE-SENSITIVE ADHESIVE COMPOSITION 住友化学株式会社 2020-02-13 WO disclosed