SCHEMBL7865824

SCHEMBL7865824

CCc1cccc(NC(=O)C=C(C)C)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.65
▸ MEN1 O00255 3/20 0.65
▸ DHODH Q02127 1/20 0.55
▸ MAPT P10636 3/20 0.55
▸ SMN1; SMN2 Q16637 8/20 0.55
▸ RAB9A P51151 5/20 0.55
▸ NPC1 O15118 4/20 0.55
▸ GAA P10253 3/20 0.55
▸ ALOX15 P16050 1/20 0.55
▸ HDAC3 O15379 2/20 0.54
▸ HDAC4 P56524 2/20 0.54
▸ HDAC1 Q13547 2/20 0.54
▸ HDAC7 Q8WUI4 2/20 0.54
▸ HDAC2 Q92769 2/20 0.54
▸ HDAC10 Q969S8 2/20 0.54
▸ HDAC11 Q96DB2 2/20 0.54
▸ HDAC8 Q9BY41 2/20 0.54
▸ HDAC6 Q9UBN7 2/20 0.54
▸ HDAC9 Q9UKV0 2/20 0.54
▸ HDAC5 Q9UQL6 2/20 0.54

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
SCHEMBL18808346 0.83 EGFR (0.63) KMT2AMEN1DHODHMAPTSMN1; SMN2
SCHEMBL30716356 0.82 KMT2A (0.58) KMT2AMEN1MAPTSMN1; SMN2RAB9A
SCHEMBL1817688 0.82 RAB9A (0.64) KMT2AMEN1MAPTSMN1; SMN2RAB9A
SCHEMBL9312293 0.80 MEN1 (0.73) KMT2AMEN1MAPTSMN1; SMN2RAB9A
SCHEMBL7868204 0.80 RAB9A (0.64) KMT2AMEN1MAPTSMN1; SMN2RAB9A
SCHEMBL10363363 0.80 CYP1A2 (0.58) KMT2AMEN1DHODHMAPTSMN1; SMN2
SCHEMBL30764078 0.80 LPAR2 (0.71) KMT2ADHODHMAPTSMN1; SMN2HDAC3
SCHEMBL7438063 0.80 CYP1A2 (0.58) KMT2AMEN1DHODHMAPTSMN1; SMN2
SCHEMBL8996654 0.80 MAPT (0.64) KMT2AMEN1MAPTSMN1; SMN2RAB9A
SCHEMBL4319038 0.80 MAPT (0.64) KMT2AMEN1MAPTSMN1; SMN2RAB9A

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
WO-2010129467-A1 COMPOUNDS AND METHODS FOR INHIBITION OF RENIN, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2010-11-11 — — WO disclosed
US-5371226-A Hypotensive agents MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-12-06 — — US disclosed
EP-0561252-A1 2-Oxoquinoline derivatives as angiotensin II antagonists MERCK PATENT GmbH (DE) 1993-09-22 — — EP disclosed
Send feedback