SCHEMBL19681869

SCHEMBL19681869

CNc1ccc(SCc2ccc(C)cc2)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
RAB9A P51151 4/20 0.41
ALDH1A1 P00352 4/20 0.41
NPC1 O15118 2/20 0.41
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
HTT P42858 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
DAO P14920 1/20 0.40
MAPT P10636 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
HPGD P15428 3/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL19681872 0.88 MAOA (0.40) MEN1KMT2ARAB9AALDH1A1NPC1
SCHEMBL22602010 0.78 RAB9A (0.47) MEN1KMT2ARAB9AALDH1A1NPC1
SCHEMBL20132348 0.75 RAB9A (0.47) MEN1KMT2ARAB9AALDH1A1NPC1
SCHEMBL11601101 0.74 ALDH1A1 (0.56) MEN1KMT2ARAB9AALDH1A1NPC1
SCHEMBL19681864 0.74 MEN1 (0.47) MEN1KMT2ARAB9AALDH1A1NPC1
SCHEMBL10657873 0.73 MEN1 (0.67) MEN1KMT2ARAB9AALDH1A1NPC1
SCHEMBL22894334 0.73 MEN1 (0.67) MEN1KMT2ARAB9AALDH1A1NPC1
SCHEMBL5768693 0.72 RAB9A (0.47) MEN1KMT2ARAB9AALDH1A1NPC1
SCHEMBL19681871 0.72 MEN1 (0.44) MEN1KMT2ARAB9AALDH1A1HTT
SCHEMBL14546285 0.71 KDM4E (0.39) MEN1KMT2ARAB9AALDH1A1HTT

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