SCHEMBL7565552

SCHEMBL7565552

CC(C)(C)c1ncc(/C=C/C(=O)O)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 1/20 0.50
RAB9A P51151 3/20 0.45
HCAR2 Q8TDS4 2/20 0.44
HDAC3 O15379 1/20 0.44
TNKS O95271 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
TNKS2 Q9H2K2 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
HPGD P15428 3/20 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
SCHEMBL7565555 1.00 P4HTM (0.50) P4HTMRAB9AHCAR2HDAC3TNKS
SCHEMBL1124232 0.81 P4HTM (0.50) P4HTMRAB9AHCAR2HDAC3TNKS
SCHEMBL1124233 0.81 P4HTM (0.50) P4HTMRAB9AHCAR2HDAC3TNKS
SCHEMBL24925531 0.81 HDAC1 (0.49) RAB9AHDAC3HDAC4HDAC1HDAC7
SCHEMBL1124047 0.79 P4HTM (0.55) P4HTMRAB9AHCAR2HDAC3TNKS
SCHEMBL1124046 0.79 P4HTM (0.55) P4HTMRAB9AHCAR2HDAC3TNKS
SCHEMBL10414574 0.78 CA12 (0.54) RAB9AHCAR2CA12CA1CA2
SCHEMBL10414576 0.78 CA12 (0.54) RAB9AHCAR2CA12CA1CA2
SCHEMBL3780465 0.77 P4HTM (0.58) P4HTMRAB9AHCAR2HDAC3TNKS
SCHEMBL3780462 0.77 P4HTM (0.58) P4HTMRAB9AHCAR2HDAC3TNKS

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-1173424-A1 PYRIMIDINE COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 2002-01-23 EP disclosed
WO-2000066566-A1 PYRIMIDINE COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 2000-11-09 WO disclosed
US-4898968-A INSECTICIDES, MITICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-02-06 US disclosed
US-4760143-A Contining pyrimidine derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-07-26 US disclosed
US-4661488-A Pyrimidine substituted-2,2-dimethylcyclopropane carboxylates useful for combating insect and acarine pests at a locus IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-04-28 US disclosed
EP-0162538-A2 Cyclopropane derivates IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-11-27 EP disclosed