SCHEMBL9515641

SCHEMBL9515641

Cc1cc(CBr)cc2c(=O)n(COC(=O)C(C)(C)C)c(C)nc12

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PIK3CA P42336 1/20 0.33
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
AKR1B10 O60218 1/20 0.30

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
SCHEMBL9515454 0.86 NPSR1 (0.45) POLBGAANPSR1PIK3CAKDM4E
SCHEMBL8490703 0.82 SMN1; SMN2 (0.43) POLBGAANPSR1KDM4EALDH1A1
SCHEMBL5734450 0.78 POLB (0.41) POLBGAANPSR1PIK3CAKDM4E
Bromide SCHEMBL5734269 0.77 POLB (0.41) POLBGAANPSR1PIK3CAKDM4E
SCHEMBL9300884 0.76 POLB (0.47) POLBGAANPSR1PIK3CAKDM4E
SCHEMBL9299066 0.75 POLB (0.43) POLBGAANPSR1PIK3CAKDM4E
SCHEMBL7427899 0.75 POLB (0.41) POLBGAANPSR1PIK3CAKDM4E
SCHEMBL8489042 0.74 GAA (0.40) POLBGAANPSR1KDM4EALDH1A1
SCHEMBL9697181 0.73 SMN1; SMN2 (0.43) POLBGAANPSR1KDM4EALDH1A1
SCHEMBL9248248 0.73 ALDH1A1 (0.45) POLBGAANPSR1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0284338-B1 Anti-tumour agents ICI PLC (GB) 1993-12-22 EP disclosed
US-4981856-A QUINAZOLINE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-01-01 US disclosed
EP-0284338-A2 Anti-tumour agents IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-09-28 EP disclosed