SCHEMBL8996654

SCHEMBL8996654

CCc1cccc(NC(=O)C(=O)Nc2cccc(CC)c2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.64
SMN1; SMN2 Q16637 5/20 0.62
HDAC3 O15379 2/20 0.62
HDAC4 P56524 2/20 0.62
HDAC1 Q13547 2/20 0.62
HDAC7 Q8WUI4 2/20 0.62
HDAC2 Q92769 2/20 0.62
HDAC10 Q969S8 2/20 0.62
HDAC11 Q96DB2 2/20 0.62
HDAC8 Q9BY41 2/20 0.62
HDAC6 Q9UBN7 2/20 0.62
HDAC9 Q9UKV0 2/20 0.62
HDAC5 Q9UQL6 2/20 0.62
HPGD P15428 1/20 0.62
MAPK1 P28482 1/20 0.62
KMT2A Q03164 3/20 0.59
MEN1 O00255 2/20 0.59
RAB9A P51151 2/20 0.59
GAA P10253 2/20 0.59
ALDH1A1 P00352 1/20 0.59

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
SCHEMBL15601892 0.91 GPR35 (0.67) MAPTSMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL4319038 0.89 MAPT (0.64) MAPTSMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL1817688 0.87 RAB9A (0.64) MAPTSMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL13808323 0.86 SMN1; SMN2 (0.61) MAPTSMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL13817433 0.86 MEN1 (0.61) MAPTSMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL5031452 0.85 SIGMAR1 (0.60) MAPTSMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL5543814 0.85 MAPT (0.60) MAPTSMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL18072466 0.85 MAPT (0.60) MAPTSMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL9410518 0.85 MAPT (0.69) MAPTSMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL7894861 0.84 MAPT (0.68) MAPTSMN1; SMN2HDAC3HDAC4HDAC1

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
US-5574070-A Substituted guanidines having high binding to the sigma receptor and the use thereof STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY (US) 1996-11-12 US disclosed
EP-0532642-A4 1994-04-27 EP disclosed
EP-0532642-A1 SUBSTITUTED GUANIDINES HAVING HIGH BINDING TO THE SIGMA RECEPTOR AND THE USE THEREOF STATE OF OREGON, acting through OREGON STATE BOARD OF HIGHER EDUCATION, acting for OREGON HEALTH SC. UNIV. AND UNIV. OF OREGON (US) 1993-03-24 EP disclosed
WO-1991018868-A1 SUBSTITUTED GUANIDINES HAVING HIGH BINDING TO THE SIGMA RECEPTOR AND THE USE THEREOF STATE OF OREGON, acting by and through the OREGON STATE BOARD OF HIGHER EDUCATION, acting for and onbehalf of the OREGON HEALTH SCIENCES UNIVERSITY (US) 1991-12-12 WO disclosed