SCHEMBL19781780

SCHEMBL19781780

C[C@@H]1CC1c1nc2ccccc2s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
PDE10A Q9Y233 1/20 0.49
ALDH1A1 P00352 3/20 0.43
DRD2 P14416 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
ADRA2A P08913 1/20 0.43
FBP1 P09467 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
DRD1 P21728 1/20 0.43
MC5R P33032 1/20 0.43
OPRM1 P35372 1/20 0.43
DRD3 P35462 1/20 0.43
OPRK1 P41145 1/20 0.43
CCR2 P41597 1/20 0.43
HTR6 P50406 1/20 0.43

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
SCHEMBL17058985 0.88 MEN1 (0.49) MEN1KMT2APDE10AALDH1A1DRD2
SCHEMBL17058989 0.81 MEN1 (0.46) MEN1KMT2APDE10AALDH1A1DRD2
SCHEMBL17058991 0.79 KMT2A (0.58) MEN1KMT2AALDH1A1DRD2HSD17B10
SCHEMBL25910826 0.78 MEN1 (0.46) MEN1KMT2APDE10AALDH1A1DRD2
SCHEMBL25911550 0.78 MEN1 (0.46) MEN1KMT2APDE10AALDH1A1DRD2
SCHEMBL16545296 0.77 KMT2A (0.59) MEN1KMT2AALDH1A1DRD2HSD17B10
SCHEMBL24819771 0.76 KMT2A (0.57) MEN1KMT2AALDH1A1DRD2HSD17B10
SCHEMBL5570765 0.76 KMT2A (0.54) MEN1KMT2APDE10AALDH1A1DRD2
SCHEMBL3902204 0.76 ALDH1A1 (0.47) MEN1KMT2AALDH1A1HPGDHSD17B10
SCHEMBL9533470 0.76 KMT2A (0.77) MEN1KMT2AALDH1A1DRD2HSD17B10

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
WO-2018101122-A1 POLYMERIZABLE COMPOSITION AND OPTICALLY ANISOTROPIC BODY IN WHICH SAME IS USED DIC株式会社 2018-06-07 WO disclosed
WO-2018012579-A1 POLYMERIZABLE COMPOSITION AND OPTICALLY ANISTROPIC BODY USING SAME DIC株式会社 2018-01-18 WO disclosed