SCHEMBL16994217

SCHEMBL16994217

O=C(CCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1cccnc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 1.00
▸ MEN1 O00255 1/20 0.90
▸ KMT2A Q03164 1/20 0.90
▸ MAPT P10636 6/20 0.76
▸ POLB P06746 5/20 0.76
▸ ATM Q13315 3/20 0.76
▸ MAPK1 P28482 3/20 0.76
▸ TDP1 Q9NUW8 1/20 0.76
▸ PAX8 Q06710 3/20 0.74
▸ LMNA P02545 3/20 0.72
▸ HPGD P15428 1/20 0.72
▸ L3MBTL1 Q9Y468 1/20 0.72
▸ NPC1 O15118 2/20 0.71
▸ HTT P42858 4/20 0.69
▸ SMN1; SMN2 Q16637 3/20 0.69
▸ ALDH1A1 P00352 1/20 0.65
▸ THRB P10828 1/20 0.65
▸ PLA2G1B P04054 1/20 0.65
▸ GAA P10253 1/20 0.65
▸ ATG4B Q9Y4P1 1/20 0.65

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
SCHEMBL12008983 0.86 POLB (1.00) RAB9AMEN1KMT2AMAPTPOLB
SCHEMBL12008795 0.84 MEN1 (0.78) RAB9AMEN1KMT2AMAPTPOLB
SCHEMBL12008805 0.83 KMT2A (0.79) RAB9AMEN1KMT2AMAPTPOLB
SCHEMBL12008779 0.80 KMT2A (0.90) RAB9AMEN1KMT2AMAPTPOLB
SCHEMBL12008878 0.80 POLB (0.90) RAB9AMEN1KMT2AMAPTPOLB
SCHEMBL12008428 0.80 PLA2G1B (0.74) RAB9AMAPTPOLBMAPK1LMNA
SCHEMBL14769351 0.80 RAB9A (0.66) RAB9AMEN1KMT2AMAPTPOLB
SCHEMBL12328428 0.79 MAPT (0.74) RAB9AMEN1KMT2AMAPTPOLB
SCHEMBL12008798 0.78 KMT2A (0.77) RAB9AMEN1KMT2AMAPTPOLB
SCHEMBL12008787 0.78 KMT2A (0.76) RAB9AMEN1KMT2AMAPTPOLB

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
US-9101600-B2 Compounds as RORγt modulators and uses thereof NEW YORK UNIVERSITY (US) 2015-08-11 — — US disclosed
US-9101600-B2 Compounds as RORγt modulators and uses thereof NEW YORK UNIVERSITY (US) 2015-08-11 — — US disclosed
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