SCHEMBL9302658

SCHEMBL9302658

CCOC(=O)Cc1ncc(C#Cc2ccc3c(c2)C(C)(C)CCS3)cn1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RARB P10826 13/20 0.67
RARG P13631 13/20 0.67
RARA P10276 12/20 0.67
CYP3A4 P08684 3/20 0.67
KMT2A Q03164 1/20 0.67
CYP26A1 O43174 2/20 0.56
RXRA P19793 2/20 0.39
CRABP2 P29373 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.32
ACACB O00763 1/20 0.32
SSTR5 P35346 1/20 0.32
BACE1 P56817 1/20 0.32

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
SCHEMBL8664187 0.90 RARA (0.55) RARBRARGRARACYP3A4KMT2A
SCHEMBL19342900 0.88 RARB (0.72) RARBRARGRARACYP3A4KMT2A
SCHEMBL6665899 0.88 RARB (0.62) RARBRARGRARACYP3A4KMT2A
SCHEMBL6665585 0.86 CYP3A4 (0.64) RARBRARGRARACYP3A4KMT2A
SCHEMBL9304096 0.86 RARA (0.51) RARBRARGRARACYP3A4KMT2A
SCHEMBL8864910 0.85 RARA (0.49) RARBRARGRARACYP3A4KMT2A
SCHEMBL9303234 0.85 RARB (0.61) RARBRARGRARACYP3A4KMT2A
SCHEMBL19342899 0.84 RARB (0.79) RARBRARGRARACYP3A4KMT2A
SCHEMBL9817758 0.84 RARA (0.62) RARBRARGRARACYP3A4KMT2A
SCHEMBL9303919 0.83 RARA (0.64) RARBRARGRARACYP3A4KMT2A

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
US-5354752-A A dimethylthiochroman or dimethylchroman-6-yl-ethynyl-pyridazin- or pyrimidin- or pyrazin-for treating skin disorders psoriasis ALLERGAN, INC. (US) 1994-10-11 US claimed