SCHEMBL8835797

SCHEMBL8835797

CN(C(=O)C(C)(C)C)c1c[nH]c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
PBRM1 Q86U86 1/20 0.46
ALDH1A1 P00352 5/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MITF O75030 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
GPR84 Q9NQS5 1/20 0.45
MAPT P10636 2/20 0.43
MAPK1 P28482 1/20 0.43
NR4A2 P43354 1/20 0.43
CREBBP Q92793 1/20 0.43
SLC22A6 Q4U2R8 1/20 0.43
HTT P42858 1/20 0.43
ATM Q13315 2/20 0.42
CDK4 P11802 2/20 0.41
CCND1 P24385 2/20 0.41

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
SCHEMBL4666381 0.78 ALDH1A1 (0.56) LMNANPSR1PBRM1ALDH1A1KMT2A
SCHEMBL7733719 0.75 KMT2A (0.47) NPSR1ALDH1A1KMT2AMEN1RAB9A
SCHEMBL15602070 0.74 ALDH1A1 (0.50) LMNANPSR1PBRM1ALDH1A1KMT2A
SCHEMBL2931217 0.74 MEN1 (0.44) LMNANPSR1PBRM1ALDH1A1KMT2A
SCHEMBL4212837 0.74 ATM (0.54) LMNANPSR1PBRM1ALDH1A1KMT2A
SCHEMBL30171037 0.74 ATM (0.54) LMNANPSR1PBRM1ALDH1A1KMT2A
SCHEMBL4500290 0.73 LMNA (0.49) LMNANPSR1PBRM1ALDH1A1KMT2A
SCHEMBL4417928 0.73 ALDH1A1 (0.47) LMNANPSR1PBRM1ALDH1A1KMT2A
SCHEMBL18701548 0.73 CDK4 (0.68) CDK4CCND1HTR1AADRA2AADRA2B
SCHEMBL27462408 0.72 ALDH1A1 (0.52) LMNANPSR1PBRM1ALDH1A1KMT2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5565579-A NEUROPROTECTIVE AGENT HOECHST MARION ROUSSEL INC. (US) 1996-10-15 US claimed
US-5646300-A NEUROPROTECTIVE AGENTS HOECHST MARION ROUSSEL, INC. (US) 1997-07-08 US disclosed
US-5591866-A NEUROPROTECTIVE AGENTS HOECHST MARION ROUSSEL INC. (US) 1997-01-07 US disclosed
US-5565579-A NEUROPROTECTIVE AGENT HOECHST MARION ROUSSEL INC. (US) 1996-10-15 US disclosed
EP-0563916-B1 (1H-Indol-1-yl)-2-(amino)acetamides and related (1H-indol-1-yl)-(aminoalkyl)amides, intermediates and a process for their preparation and their use as medicaments HOECHST ROUSSEL PHARMA (US) 1995-08-16 EP disclosed
US-5319096-A Neuroprotective agent HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1994-06-07 US disclosed
EP-0563916-A1 (1H-Indol-1-yl)-2-(amino)acetamides and related (1H-indol-1-yl)-(aminoalkyl)amides, intermediates and a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-10-06 EP disclosed