SCHEMBL7721385

SCHEMBL7721385

CC(C)n1c(SCc2cn3ccsc3n2)nc2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.57
TSHR P16473 9/20 0.57
ALDH1A1 P00352 9/20 0.57
USP2 O75604 3/20 0.57
KMT2A Q03164 3/20 0.57
NPSR1 Q6W5P4 4/20 0.55
MAPK1 P28482 3/20 0.55
RECQL P46063 1/20 0.55
SMN1; SMN2 Q16637 7/20 0.54
NPC1 O15118 6/20 0.54
RAB9A P51151 6/20 0.54
MAPT P10636 4/20 0.53
HPGD P15428 5/20 0.53
MEN1 O00255 2/20 0.53
HSD17B10 Q99714 3/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
POLB P06746 2/20 0.48

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
SCHEMBL370971 0.73 PDE10A (1.00) PDE10ATSHRALDH1A1USP2KMT2A
SCHEMBL11888675 0.73 NPC1 (0.65) PDE10ATSHRALDH1A1USP2KMT2A
SCHEMBL7721150 0.71 LMNA (0.51) TSHRALDH1A1KMT2ANPSR1SMN1; SMN2
SCHEMBL7721157 0.69 SMN1; SMN2 (0.47) TSHRALDH1A1KMT2ASMN1; SMN2NPC1
SCHEMBL7721154 0.69 ALDH1A1 (0.50) TSHRALDH1A1USP2KMT2ANPSR1
SCHEMBL23571793 0.68 NPC1 (0.60) PDE10ATSHRALDH1A1USP2KMT2A
SCHEMBL12692402 0.67 TSHR (1.00) PDE10ATSHRALDH1A1USP2KMT2A
SCHEMBL7726932 0.67 HSD17B10 (0.53) TSHRALDH1A1KMT2AMAPK1SMN1; SMN2
SCHEMBL7721559 0.66 SMN1; SMN2 (0.53) TSHRALDH1A1KMT2ASMN1; SMN2NPC1
SCHEMBL14131227 0.66 SMN1; SMN2 (0.49) TSHRALDH1A1KMT2ASMN1; SMN2NPC1

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-6875765-B2 Arylsulfonamide ethers, and methods of use thereof WARNER-LAMBERT COMPANY (US) 2005-04-05 US disclosed
US-6875765-B2 Arylsulfonamide ethers, and methods of use thereof WARNER-LAMBERT COMPANY (US) 2005-04-05 US disclosed