SCHEMBL5430042

SCHEMBL5430042

O=C(NCc1c(O)ccc2ccccc12)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 1.00
▸ MEN1 O00255 3/20 1.00
▸ ALDH1A1 P00352 5/20 0.61
▸ GAA P10253 5/20 0.58
▸ KDM4E B2RXH2 4/20 0.58
▸ HSD17B10 Q99714 3/20 0.58
▸ GLA P06280 1/20 0.58
▸ HPGD P15428 1/20 0.58
▸ ERCC1 P07992 1/20 0.57
▸ ERCC4 Q92889 1/20 0.57
▸ CYP1A2 P05177 2/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ MAPT P10636 2/20 0.50
▸ TAAR1 Q96RJ0 1/20 0.50
▸ ELANE P08246 1/20 0.49
▸ HDAC1 Q13547 1/20 0.49
▸ HDAC6 Q9UBN7 1/20 0.49
▸ CA2 P00918 1/20 0.48
▸ ALOX12 P18054 1/20 0.47

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
SCHEMBL5434363 0.81 MEN1 (0.68) KMT2AMEN1ALDH1A1GAAKDM4E
SCHEMBL28987049 0.78 MEN1 (0.63) KMT2AMEN1ALDH1A1GAAKDM4E
SCHEMBL12531030 0.77 HSD17B10 (0.68) KMT2AMEN1ALDH1A1GAAKDM4E
SCHEMBL3817884 0.76 CA2 (0.70) KMT2AMEN1ALDH1A1HPGDCYP1A2
Benzoic Acid SCHEMBL5079271 0.76 HSD17B10 (0.73) KMT2AMEN1ALDH1A1GAAKDM4E
SCHEMBL7538616 0.75 KMT2A (0.60) KMT2AMEN1ALDH1A1GAAKDM4E
SCHEMBL4920225 0.75 HDAC6 (0.61) KMT2AMEN1HSD17B10CYP1A2CYP2C9
SCHEMBL13219070 0.74 HSD17B10 (0.63) KMT2AMEN1ALDH1A1GAAKDM4E
SCHEMBL4889683 0.74 KDM4E (1.00) KMT2AMEN1ALDH1A1GAAKDM4E
SCHEMBL12305654 0.74 HSD17B10 (0.69) KMT2AMEN1ALDH1A1GAAKDM4E

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
JP-2007530524-A — — 2007-11-01 — — JP claimed
EP-1730103-A1 FORMAMIDE DERIVATIVES USEFUL AS ADRENOCEPTOR Pfizer Limited (GB) 2006-12-13 — — EP claimed
WO-2005092840-A1 FORMAMIDE DERIVATIVES USEFUL AS ADRENOCEPTOR PFIZER LIMITED (GB) 2005-10-06 — — WO claimed
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