SCHEMBL7832671

SCHEMBL7832671

CC1(C)C(=O)N(CCO)c2ccc(S(C)(=O)=O)cc21

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 3/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
POLB P06746 3/20 0.40
TP53 P04637 2/20 0.40
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39

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
SCHEMBL6978569 0.86 MEN1 (0.46) MEN1KMT2AMAPTGAAPKM
SCHEMBL6502022 0.81 MEN1 (0.41) MEN1KMT2AMAPTGAAPKM
SCHEMBL7836213 0.80 TP53 (0.46) MEN1KMT2AMAPTPKMPOLB
SCHEMBL6491118 0.80 POLB (0.44) MEN1KMT2AMAPTGAAPKM
SCHEMBL5007556 0.79 HSPA9 (0.39) MEN1KMT2AMAPTTP53LMNA
SCHEMBL7825844 0.79 PARK7 (0.47) MEN1KMT2AMAPTPOLBLMNA
SCHEMBL7836004 0.79 LMNA (0.46) MEN1KMT2AMAPTPOLBTP53
SCHEMBL7836673 0.79 KMT2A (0.49) MEN1KMT2AMAPTPKMTP53
SCHEMBL7833333 0.77 TDP1 (0.46) MEN1KMT2AMAPTPOLBLMNA
SCHEMBL31559833 0.75 TP53 (0.52) MEN1KMT2AMAPTTP53LMNA

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-0780388-B1 5HT1Dalpha and 5HT2A ligands LILLY CO ELI (GB) 2001-08-16 EP disclosed
US-5773448-A NERVOUS SYSTEM DISORDERS ELI LILLY AND COMPANY LIMITED (GB) 1998-06-30 US disclosed
CN-1157822-A Pharmaceutical compounds LILLY INDUSTRIES LTD (GB) 1997-08-27 CN disclosed
EP-0780388-A1 5HT1Dalpha and 5HT2A ligands LILLY INDUSTRIES LIMITED (GB) 1997-06-25 EP disclosed