SCHEMBL23850693

SCHEMBL23850693

Cn1cnc(CNC(=O)c2c(NC(=O)c3cccnc3)sc3c2CCCC3)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 1.00
AMY1A P0DUB6 6/20 0.71
MGAM O43451 10/20 0.71
MAPT P10636 4/20 0.62
ALDH1A1 P00352 3/20 0.62
NPC1 O15118 2/20 0.62
RAB9A P51151 2/20 0.62
FLT3 P36888 1/20 0.62
KDM4E B2RXH2 1/20 0.62
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
POLB P06746 1/20 0.61
TDP1 Q9NUW8 2/20 0.61
LMNA P02545 1/20 0.59
RCE1 Q9Y256 1/20 0.59

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
SCHEMBL31238963 1.00 RORC (1.00) RORCAMY1AMGAMMAPTALDH1A1
SCHEMBL5457779 0.77 RAB9A (1.00) RORCAMY1AMGAMMAPTALDH1A1
SCHEMBL3913279 0.76 MAPT (0.72) RORCAMY1AMGAMMAPTALDH1A1
SCHEMBL23850168 0.76 RORC (1.00) RORCAMY1AMGAMMAPTALDH1A1
SCHEMBL23850800 0.75 RORC (1.00) RORCAMY1AMGAMMAPTALDH1A1
SCHEMBL23850798 0.75 RORC (1.00) RORCAMY1AMGAMMAPTALDH1A1
SCHEMBL2132168 0.74 MAPT (0.78) RORCAMY1AMGAMMAPTALDH1A1
SCHEMBL31238948 0.74 RORC (0.59) RORCAMY1AMGAMMAPTALDH1A1
SCHEMBL8290375 0.74 MAPT (0.84) RORCAMY1AMGAMMAPTALDH1A1
SCHEMBL23850170 0.73 RORC (1.00) RORCAMY1AMGAMMAPTALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3883929-A1 4,5,6,7-TETRAHYDRO-L-BENZOTHIOPHENE MODULATORS OF RETINOIC ACID RECEPTOR RELATED (RAR) ORPHAN NUCLEAR RECEPTORS (RORS) 11949098 Canada Inc. (CA) 2021-09-29 EP claimed
CN-113166130-A 4,5,6, 7-tetrahydro-L-benzothiophene modulators of retinoic acid receptor-associated (RAR) orphan nuclear receptors (ROR) 11949098加拿大股份有限公司 2021-07-23 CN claimed
EP-3883929-A1 4,5,6,7-TETRAHYDRO-L-BENZOTHIOPHENE MODULATORS OF RETINOIC ACID RECEPTOR RELATED (RAR) ORPHAN NUCLEAR RECEPTORS (RORS) 11949098 Canada Inc. (CA) 2021-09-29 EP disclosed
CN-113166130-A 4,5,6, 7-tetrahydro-L-benzothiophene modulators of retinoic acid receptor-associated (RAR) orphan nuclear receptors (ROR) 11949098加拿大股份有限公司 2021-07-23 CN disclosed