SCHEMBL7776324

SCHEMBL7776324

O=C(c1ccccc1)c1ccc(-c2nc(C(=O)O)cs2)cc1

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.65
HPGDS O60760 2/20 0.62
PTPN1 P18031 1/20 0.61
KDM4E B2RXH2 3/20 0.57
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
HDAC1 Q13547 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
TDP1 Q9NUW8 1/20 0.52
ACHE P22303 1/20 0.51
PTGER1 P34995 1/20 0.51
TLR7 Q9NYK1 1/20 0.49

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
SCHEMBL26319518 0.87 ALDH1A1 (0.73) ALDH1A1HPGDSPTPN1KDM4ENPC1
SCHEMBL2104811 0.87 ALDH1A1 (0.73) ALDH1A1HPGDSPTPN1KDM4ENPC1
SCHEMBL352152 0.87 HPGDS (0.73) ALDH1A1HPGDSPTPN1KDM4ENPC1
SCHEMBL1683594 0.85 HDAC1 (0.64) ALDH1A1HPGDSPTPN1KDM4ENPC1
Hydrochloric Acid SCHEMBL6821751 0.85 HPGDS (0.71) ALDH1A1HPGDSPTPN1KDM4ENPC1
SCHEMBL1785557 0.80 ALDH1A1 (0.73) ALDH1A1HPGDSPTPN1KDM4ENPC1
SCHEMBL9613348 0.80 ALDH1A1 (0.72) ALDH1A1HPGDSPTPN1KDM4ENPC1
SCHEMBL27768678 0.80 HDAC1 (0.70) ALDH1A1HPGDSKDM4ENPC1RAB9A
SCHEMBL786711 0.79 LMNA (0.56) ALDH1A1HPGDSKDM4ENPC1RAB9A
SCHEMBL24136179 0.79 ALDH1A1 (0.71) ALDH1A1HPGDSPTPN1KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1124957-A1 PHOLASIN University of Wales College of Medicine (GB) 2001-08-22 EP disclosed
WO-2000028025-A1 PHOLASIN UNIVERSITY OF WALES COLLEGE OF MEDICINE (GB) 2000-05-18 WO disclosed