SCHEMBL14370229

SCHEMBL14370229

CCOP(=O)(Cc1cccc(-c2nc3ccc(Br)cc3c(=O)o2)c1)OCC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 4/20 0.53
▸ MAPT P10636 5/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ HPN P05981 1/20 0.46
▸ ALDH1A1 P00352 7/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ HPGD P15428 4/20 0.45
▸ KDM4E B2RXH2 4/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ CYP1A2 P05177 2/20 0.45
▸ CYP2C19 P33261 2/20 0.45
▸ HSD17B10 Q99714 1/20 0.44
▸ F2 P00734 1/20 0.43
▸ NPC1 O15118 3/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ USP2 O75604 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40

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
SCHEMBL14273822 0.87 TP53 (0.48) TP53MAPTSMN1; SMN2HPNALDH1A1
SCHEMBL9440385 0.77 NPC1 (0.48) TP53MAPTSMN1; SMN2HPNALDH1A1
SCHEMBL2843939 0.75 NPC1 (0.70) TP53MAPTSMN1; SMN2HPNALDH1A1
SCHEMBL29426944 0.72 IDO1 (0.43) KMT2AHPGDMEN1CYP1A2CYP2C19
SCHEMBL1307260 0.72 IDO1 (0.43) KMT2AHPGDMEN1CYP1A2CYP2C19
SCHEMBL6565665 0.72 TP53 (0.70) TP53MAPTSMN1; SMN2HPNALDH1A1
SCHEMBL6565595 0.71 TP53 (0.65) TP53MAPTSMN1; SMN2HPNALDH1A1
SCHEMBL8079370 0.70 UTRN (0.47) TP53MAPTSMN1; SMN2HPNALDH1A1
SCHEMBL8070088 0.70 NPY5R (0.41) TP53MAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL12758410 0.69 KDM4E (0.63) TP53MAPTSMN1; SMN2HPNALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7276601-B2 Method and preparing fused oxazinones E.I. DU PONT DE NEMOURS AND COMPANY (US) 2007-10-02 — — US disclosed
US-7276601-B2 Method and preparing fused oxazinones E.I. DU PONT DE NEMOURS AND COMPANY (US) 2007-10-02 — — US disclosed
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