SCHEMBL5752579

SCHEMBL5752579

O=C(Nc1cc(Cl)cc(Cl)c1)c1cc([N+](=O)[O-])cc2c(O)nc(Nc3ccc(Cl)c(Cl)c3)nc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.49
▸ KMT2A Q03164 4/20 0.49
▸ CYP3A4 P08684 3/20 0.49
▸ MAPT P10636 3/20 0.49
▸ RECQL P46063 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ P2RX1 P51575 2/20 0.43
▸ MAPK1 P28482 3/20 0.42
▸ PPARG P37231 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ PPARA Q07869 1/20 0.42
▸ PIN1 Q13526 1/20 0.42
▸ RORC P51449 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ PKM P14618 1/20 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
SCHEMBL5755373 0.88 KMT2A (0.48) MEN1KMT2ACYP3A4MAPTRECQL
SCHEMBL5754027 0.86 MEN1 (0.49) MEN1KMT2ACYP3A4MAPTRECQL
SCHEMBL5755610 0.84 MEN1 (0.47) MEN1KMT2ACYP3A4MAPTRECQL
SCHEMBL5756011 0.81 MEN1 (0.46) MEN1KMT2ACYP3A4MAPTRECQL
SCHEMBL5756017 0.81 MEN1 (0.46) MEN1KMT2ACYP3A4MAPTRECQL
SCHEMBL5754693 0.80 TYMS (0.46) MEN1KMT2ACYP3A4MAPTRECQL
SCHEMBL5755111 0.80 MEN1 (0.45) MEN1KMT2ACYP3A4MAPTRECQL
SCHEMBL5753680 0.79 FPR2 (0.47) MEN1KMT2ACYP3A4MAPTRECQL
SCHEMBL5753676 0.79 FPR2 (0.47) MEN1KMT2ACYP3A4MAPTRECQL
SCHEMBL5756054 0.79 FPR2 (0.47) MEN1KMT2ACYP3A4MAPTRECQL

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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