SCHEMBL19681871

SCHEMBL19681871

CNc1cccc(SCc2ccc(C)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
DAO P14920 1/20 0.41
RAB9A P51151 2/20 0.41
HTT P42858 4/20 0.39
MAPT P10636 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
ALDH1A1 P00352 4/20 0.38
RECQL P46063 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HPGD P15428 5/20 0.38
POLB P06746 3/20 0.37
KDM4E B2RXH2 1/20 0.37
APP P05067 1/20 0.37
SIRT2 Q8IXJ6 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL14189345 0.81 DAO (0.46) MEN1KMT2ADAORAB9AHTT
SCHEMBL19681864 0.80 MEN1 (0.47) MEN1KMT2ADAORAB9AHTT
SCHEMBL20132015 0.77 RAB9A (0.50) MEN1KMT2ADAORAB9AHTT
SCHEMBL19681866 0.76 L3MBTL1 (0.42) MEN1KMT2AMAPTNPSR1ALDH1A1
SCHEMBL10661141 0.75 SLC6A4 (0.53) MEN1KMT2ADAORAB9AHTT
SCHEMBL22602000 0.74 SAE1 (0.46) MEN1KMT2ARAB9AHTTMAPT
SCHEMBL11601101 0.72 ALDH1A1 (0.56) MEN1KMT2ADAORAB9AHTT
SCHEMBL19681869 0.72 MEN1 (0.41) MEN1KMT2ADAORAB9AHTT
SCHEMBL19681872 0.72 MAOA (0.40) MEN1KMT2ADAORAB9AHTT
SCHEMBL20780451 0.71 CYP2A6 (0.50) MEN1KMT2ADAORAB9AHTT

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
EP-3901162-A1 GLUCOCORTICOID RECEPTOR AGONIST AND IMMUNOCONJUGATES THEREOF AbbVie Inc. (US) 2021-10-27 EP disclosed
WO-2017207776-A1 SYSTEM FOR DISPENSING A COSMETIC PRODUCT L'OREAL (FR) 2017-12-07 WO disclosed