SCHEMBL4041638

SCHEMBL4041638

COc1ccc(-c2c[nH]c(CCNC(=O)O)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
ACR P10323 1/20 0.44
THRB P10828 1/20 0.43
TP53 P04637 4/20 0.43
MAPT P10636 3/20 0.43
LMNA P02545 2/20 0.43
POLB P06746 1/20 0.42
CDK4 P11802 2/20 0.42
CCND1 P24385 2/20 0.42
CASP3 P42574 1/20 0.42

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
SCHEMBL4034934 0.88 MAPT (0.48) MAPTCDK4CCND1SMN1; SMN2ALDH1A1
SCHEMBL14736598 0.87 MAPT (0.52) TP53MAPTCDK4CCND1SMN1; SMN2
SCHEMBL2342304 0.86 LTA4H (0.47)
SCHEMBL4033995 0.86 TP53 (0.42) TP53MAPTCDK4CCND1SMN1; SMN2
SCHEMBL2338147 0.84 LTA4H (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14736459 0.84 CYP3A4 (0.43) TP53MAPTLMNACDK4CCND1
SCHEMBL4033836 0.84 DHODH (0.46) THRBMAPTLMNACDK4CCND1
SCHEMBL4039334 0.84 RAB9A (0.45) TP53MAPTLMNAPOLBSMN1; SMN2
SCHEMBL2340396 0.83 MEN1 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4699279 0.83 ALPL (0.38) TP53MAPTLMNAALDH1A1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1379514-B1 5-MEMBERED HETEROCYCLES, PREPARATION AND APPLICATION THEREOF AS MEDICAMENTS IPSEN PHARMA (FR) 2009-07-15 EP claimed
EP-1379514-A2 5-MEMBERED HETEROCYCLES, PREPARATION AND APPLICATION THEREOF AS MEDICAMENTS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2004-01-14 EP claimed
WO-2002083656-A2 5-MEMBERED HETEROCYCLES, PREPARATION AND USE THEREOF AS MAO INHIBITORS AND LIPID PEROXIDATION INHIBITORS, PREPARATION THEREOF AND USE THEREOF AS MEDICAMENTS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2002-10-24 WO claimed
EP-1379514-B1 5-MEMBERED HETEROCYCLES, PREPARATION AND APPLICATION THEREOF AS MEDICAMENTS IPSEN PHARMA (FR) 2009-07-15 EP disclosed
EP-1379514-A2 5-MEMBERED HETEROCYCLES, PREPARATION AND APPLICATION THEREOF AS MEDICAMENTS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2004-01-14 EP disclosed
WO-2002083656-A2 5-MEMBERED HETEROCYCLES, PREPARATION AND USE THEREOF AS MAO INHIBITORS AND LIPID PEROXIDATION INHIBITORS, PREPARATION THEREOF AND USE THEREOF AS MEDICAMENTS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2002-10-24 WO disclosed