5-Chloroindole-2-Carboxylic Acid

5-Chloroindole-2-Carboxylic Acid

SCHEMBL6162973

COc1ccc(C[C@H](N)C(=O)N2CCOCC2)cc1.O=C(O)c1cc2cc(Cl)ccc2[nH]1

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP51A1 Q16850 6/20 0.57
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
DRD3 P35462 1/20 0.49
FLT3 P36888 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
F7 P08709 1/20 0.46
F3 P13726 1/20 0.46
PYGL P06737 4/20 0.45
PYGM P11217 1/20 0.44
HRH1 P35367 1/20 0.43
HRH4 Q9H3N8 1/20 0.43
SMYD3 Q9H7B4 1/20 0.43
CTNNB1 P35222 1/20 0.43
PDGFRB P09619 1/20 0.43
MC4R P32245 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
SCHEMBL6164711 0.80 FKBP1A (0.59) ALDH1A1MAPT
SCHEMBL6162739 0.80 FKBP1A (0.59) ALDH1A1MAPT
SCHEMBL7961682 0.75 AKT1 (0.46) KDM4EALDH1A1MAPT
SCHEMBL7239232 0.71 PYGL (0.73) CYP51A1PYGL
SCHEMBL18889291 0.71 HRH4 (0.76) KMT2AMEN1HRH1HRH4
SCHEMBL14311579 0.70 DPP7 (0.61) KMT2AMEN1KDM4EALDH1A1
SCHEMBL18889248 0.70 HRH4 (0.76) KMT2AMEN1DRD3KDM4EALDH1A1
SCHEMBL6160377 0.69 AKT1 (0.60) KMT2ADRD3KDM4EALDH1A1MAPT
SCHEMBL6166321 0.69 AKT1 (0.60) KMT2ADRD3KDM4EALDH1A1MAPT
SCHEMBL29362778 0.69 PYGL (0.81) CYP51A1FLT3PYGLPYGMCTNNB1

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-1134213-B1 Process for the preparation of substituted N-(indole-2-carbonyl)- glycinamides PFIZER (US) 2005-11-02 EP disclosed
EP-0832065-B1 SUBSTITUTED N-(INDOLE-2-CARBONYL)-GLYCINAMIDES AND DERIVATIVES AS GLYCOGEN PHOSPHORYLASE INHIBITORS PFIZER (US) 2001-10-10 EP disclosed
EP-1134213-A2 Process for the preparation of substituted N-(indole-2-carbonyl)- glycinamides PFIZER INC. (US) 2001-09-19 EP disclosed
US-6107329-A HYPOTENSIVE AGENTS; CARDIOVASCULAR DISORDERS PFIZER, INC. (US) 2000-08-22 US disclosed
EP-0832065-A1 SUBSTITUTED N-(INDOLE-2-CARBONYL)-GLYCINAMIDES AND DERIVATIVES AS GLYCOGEN PHOSPHORYLASE INHIBITORS PFIZER INC. (US) 1998-04-01 EP disclosed
WO-1996039384-A1 SUBSTITUTED N-(INDOLE-2-CARBONYL)-GLYCINAMIDES AND DERIVATIVES AS GLYCOGEN PHOSPHORYLASE INHIBITORS PFIZER, INC. (US) 1996-12-12 WO disclosed