SCHEMBL6235212

SCHEMBL6235212

NC(=O)CNCCOCc1ccc(Cl)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.45
TSHR P16473 2/20 0.42
SIGMAR1 Q99720 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPK1 P28482 1/20 0.40
PYGL P06737 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PTPRC P08575 1/20 0.39
PTPN1 P18031 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38

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
SCHEMBL6237097 0.84 LMNA (0.48) IDO1NPC1RAB9A
SCHEMBL6240427 0.82 CYP3A4 (0.46) IDO1TSHR
SCHEMBL6235218 0.80 SIGMAR1 (0.64) IDO1SIGMAR1SMN1; SMN2NPC1RAB9A
SCHEMBL9618230 0.79 CYP1A2 (0.53) IDO1TSHRSIGMAR1MEN1KMT2A
SCHEMBL6237705 0.78 RAB9A (0.45) SMN1; SMN2MAPK1NPC1RAB9A
SCHEMBL6239312 0.78 SMN1; SMN2 (0.52) TSHRMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL5653389 0.77 TSHR (0.54) TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL6244574 0.76 IDO1 (0.44) IDO1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL6237989 0.75 IDO1 (0.49) IDO1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL6239811 0.73 SIRT2 (0.49) TSHRMEN1KMT2ARAB9ANPSR1

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
WO-2005011697-A2 SULFONAMIDE DERIVATIVES WITH ACTIVITY ON PROTEIN KINASE A AND B ASTEX THERAPEUTICS LIMITED (GB) 2005-02-10 WO disclosed