SCHEMBL13634694

SCHEMBL13634694

Cc1ccccc1C(=O)N[C@H]1CCSC1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 1.00
MEN1 O00255 1/20 1.00
LMNA P02545 1/20 0.79
ALDH1A1 P00352 5/20 0.65
POLB P06746 1/20 0.59
MAPK1 P28482 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C19 P33261 1/20 0.56
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
PKM P14618 1/20 0.53
NPSR1 Q6W5P4 1/20 0.52
HSD17B10 Q99714 1/20 0.52
HPGD P15428 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
GAA P10253 1/20 0.51

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
SCHEMBL14830534 0.84 KMT2A (0.72) KMT2AMEN1LMNAALDH1A1POLB
SCHEMBL10511025 0.84 KMT2A (0.72) KMT2AMEN1LMNAALDH1A1POLB
SCHEMBL3462955 0.79 ALDH1A1 (1.00) KMT2AMEN1ALDH1A1POLBMAPK1
SCHEMBL457993 0.75 NPC1 (0.84) KMT2AMEN1LMNAALDH1A1POLB
SCHEMBL29958989 0.75 MEN1 (0.59) KMT2AMEN1LMNAALDH1A1POLB
SCHEMBL15888637 0.75 NPC1 (0.72) KMT2AMEN1LMNAALDH1A1POLB
SCHEMBL13164040 0.74 ALDH1A1 (0.60) KMT2AMEN1LMNAALDH1A1POLB
SCHEMBL13162945 0.74 MEN1 (0.59) KMT2AMEN1LMNANPC1RAB9A
SCHEMBL5969897 0.74 TAS1R3 (0.64) KMT2AMEN1LMNAALDH1A1HSD17B10
SCHEMBL18619476 0.73 POLB (0.58) KMT2AMEN1LMNAALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2206707-B1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2014-07-23 EP disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed