SCHEMBL5754517

SCHEMBL5754517

COC(=O)c1cc([N+](=O)[O-])cc2c(Cl)nc(Cl)nc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ RECQL P46063 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.37
▸ POLB P06746 2/20 0.37
▸ MAPT P10636 4/20 0.37
▸ F2 P00734 1/20 0.37
▸ PLAU P00749 1/20 0.37
▸ KLKB1 P03952 1/20 0.37
▸ ELANE P08246 1/20 0.37
▸ CTRB1 P17538 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ OPRK1 P41145 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.35
▸ RORC P51449 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ HTT P42858 1/20 0.35

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
SCHEMBL5755645 0.89 KMT2A (0.40) KMT2AMEN1RECQLALDH1A1POLB
SCHEMBL5754880 0.78 ALDH1A1 (0.38) KMT2AMEN1RECQLALDH1A1POLB
SCHEMBL15808944 0.74 MEN1 (0.41) KMT2AMEN1RECQLALDH1A1MAPT
SCHEMBL5756383 0.74 NQO2 (0.47) KMT2AMEN1ALDH1A1OPRK1
SCHEMBL30618280 0.72 OPRK1 (0.50) KMT2AMEN1RECQLALDH1A1POLB
SCHEMBL2692671 0.72 OPRK1 (0.50) KMT2AMEN1RECQLALDH1A1POLB
SCHEMBL22082614 0.72 ALDH1A1 (0.56) KMT2AMEN1RECQLALDH1A1POLB
SCHEMBL5755610 0.72 MEN1 (0.47) KMT2AMEN1RECQLALDH1A1POLB
SCHEMBL5752032 0.71 KMT2A (0.41) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL12999439 0.71 KMT2A (0.42) KMT2AMEN1ALDH1A1MAPTGAA

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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