SCHEMBL5753538

SCHEMBL5753538

O=C(Nc1ccc(F)cc1)c1cc([N+](=O)[O-])cc2c(O)nc(O)nc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ MEN1 O00255 5/20 0.44
▸ KMT2A Q03164 5/20 0.44
▸ LMNA P02545 2/20 0.43
▸ POLB P06746 2/20 0.43
▸ SAE1 Q9UBE0 1/20 0.43
▸ UBA2 Q9UBT2 1/20 0.43
▸ PKM P14618 2/20 0.42
▸ HSP90AA1 P07900 1/20 0.42
▸ PAX8 Q06710 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ F10 P00742 1/20 0.42
▸ PLAU P00749 1/20 0.42
▸ PLAT P00750 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
SCHEMBL5752319 0.89 SMN1; SMN2 (0.45) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL5756395 0.80 HDAC3 (0.40) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL5752461 0.79 MAPT (0.45) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL5753186 0.77 PIN1 (0.45) MAPTMEN1KMT2APOLB
SCHEMBL5753422 0.77 MAPT (0.48) MAPTSMN1; SMN2KMT2AALDH1A1HTT
SCHEMBL12264711 0.76 NQO2 (0.41) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL5754880 0.75 ALDH1A1 (0.38) MAPTSMN1; SMN2NPC1MEN1KMT2A
SCHEMBL5755383 0.74 PIK3CA (0.42) MAPTSMN1; SMN2MEN1KMT2APOLB
SCHEMBL18148152 0.73 MAPT (0.66) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL18147812 0.71 RORC (0.76) MAPTSMN1; SMN2NPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1218358-B1 THERAPEUTIC QUINAZOLINE COMPOUNDS ASTRAZENECA AB (SE) 2006-09-13 — — EP disclosed
EP-1218358-A1 THERAPEUTIC QUINAZOLINE COMPOUNDS AstraZeneca AB (SE) 2002-07-03 — — EP disclosed
US-6399603-B1 QUINAZOLINES; RETARDING APOPTOSIS IN CELLS; INHIBITING CLEAVAGE OF PROTEIN SUBSTRATES BY CASPASE-3; CHEMICAL AND HYDROLYTIC STABILITY ASTRAZENECA AB (SE) 2002-06-04 — — US disclosed
WO-2001021598-A1 THERAPEUTIC QUINAZOLINE COMPOUNDS ASTRAZENECA AB (SE) 2001-03-29 — — WO disclosed
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