SCHEMBL19681864

SCHEMBL19681864

CNc1ccc(SCc2ccc(C)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.47
KMT2A Q03164 9/20 0.47
ALDH1A1 P00352 7/20 0.47
MAPT P10636 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
RAB9A P51151 4/20 0.47
HTT P42858 3/20 0.47
NPC1 O15118 2/20 0.46
HPGD P15428 4/20 0.46
POLB P06746 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPSR1 Q6W5P4 2/20 0.45
LMNA P02545 1/20 0.42
GLA P06280 1/20 0.42
DAO P14920 1/20 0.42
APP P05067 1/20 0.41

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
SCHEMBL11601101 0.86 ALDH1A1 (0.56) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL21340880 0.83 MAOA (0.53) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL19681871 0.80 MEN1 (0.44) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL19631323 0.79 MEN1 (0.55) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL18951277 0.78 MAPT (0.48) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL20132338 0.77 MEN1 (0.67) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL13047673 0.77 MEN1 (0.53) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL22894334 0.77 MEN1 (0.67) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL28533904 0.77 MAOB (0.61) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL10408225 0.77 MEN1 (0.53) MEN1KMT2AALDH1A1MAPTSMN1; SMN2

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