SCHEMBL1670485

SCHEMBL1670485

COc1ccc(C(=O)Nc2c(C)noc2C)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 2/20 0.66
▸ BRD2 P25440 1/20 0.66
▸ TP53 P04637 6/20 0.60
▸ NPC1 O15118 5/20 0.60
▸ RAB9A P51151 5/20 0.60
▸ SMN1; SMN2 Q16637 5/20 0.60
▸ TAS2R8 Q9NYW2 1/20 0.56
▸ ALOX15 P16050 1/20 0.54
▸ ALDH1A1 P00352 3/20 0.53
▸ MEN1 O00255 5/20 0.52
▸ KMT2A Q03164 5/20 0.52
▸ MAPT P10636 3/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ RECQL P46063 1/20 0.52
▸ RXFP1 Q9HBX9 1/20 0.52
▸ POLB P06746 1/20 0.52
▸ F10 P00742 1/20 0.51
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ GAA P10253 1/20 0.50

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
SCHEMBL8488339 0.89 BRD4 (0.55) BRD4BRD2TP53NPC1RAB9A
SCHEMBL16845182 0.87 BRD4 (0.56) BRD4BRD2TP53NPC1RAB9A
SCHEMBL16845109 0.84 BRD4 (0.55) BRD4BRD2TP53NPC1RAB9A
SCHEMBL14098961 0.78 RAB9A (0.61) BRD4BRD2NPC1RAB9ASMN1; SMN2
SCHEMBL12800383 0.75 BRD4 (0.51) BRD4BRD2TP53NPC1RAB9A
SCHEMBL1672738 0.75 BRD4 (0.51) BRD4BRD2TP53NPC1RAB9A
SCHEMBL1672733 0.75 BRD4 (0.51) BRD4BRD2TP53NPC1RAB9A
SCHEMBL6935548 0.74 ALDH1A1 (0.65) TP53NPC1RAB9ASMN1; SMN2ALOX15
SCHEMBL7242479 0.73 TP53 (0.69) TP53NPC1RAB9ASMN1; SMN2ALOX15
SCHEMBL16823776 0.73 HTT (0.46) BRD4BRD2SMN1; SMN2ALDH1A1MAPT

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
WO-2011042477-A1 SUBSTITUTED PYRROLES AND IMIDAZOLES AS ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2011-04-14 — — WO disclosed
WO-2011042477-A1 SUBSTITUTED PYRROLES AND IMIDAZOLES AS ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2011-04-14 — — WO disclosed
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