SCHEMBL7716937

SCHEMBL7716937

COc1cc(NC(=O)c2ccco2)ccc1NC(=O)C(F)(F)F

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 8/20 0.67
▸ KMT2A Q03164 6/20 0.67
▸ SMN1; SMN2 Q16637 5/20 0.67
▸ MEN1 O00255 5/20 0.67
▸ NPC1 O15118 5/20 0.67
▸ ALDH1A1 P00352 3/20 0.67
▸ TP53 P04637 3/20 0.67
▸ MAPT P10636 5/20 0.66
▸ HSD17B10 Q99714 3/20 0.66
▸ TSHR P16473 2/20 0.66
▸ CYP1A2 P05177 1/20 0.66
▸ CYP3A4 P08684 1/20 0.66
▸ CYP2D6 P10635 1/20 0.66
▸ CYP2C9 P11712 1/20 0.66
▸ CYP2C19 P33261 1/20 0.66
▸ GRM4 Q14833 1/20 0.66
▸ POLB P06746 2/20 0.65
▸ PAX8 Q06710 1/20 0.65
▸ KDM4E B2RXH2 4/20 0.61
▸ HPGD P15428 3/20 0.61

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
SCHEMBL21588727 0.81 MEN1 (0.71) RAB9AKMT2ASMN1; SMN2MEN1NPC1
SCHEMBL6811081 0.79 CYP1A2 (0.67) RAB9AKMT2AMEN1NPC1ALDH1A1
SCHEMBL7716934 0.78 RAB9A (0.81) RAB9AKMT2ASMN1; SMN2MEN1NPC1
SCHEMBL6814343 0.78 KMT2A (0.72) RAB9AKMT2ASMN1; SMN2MEN1NPC1
SCHEMBL21880903 0.77 RAB9A (1.00) RAB9AKMT2ASMN1; SMN2MEN1NPC1
SCHEMBL11311673 0.76 SMN1; SMN2 (1.00) RAB9AKMT2ASMN1; SMN2MEN1NPC1
SCHEMBL2183241 0.75 MAPT (0.76) RAB9AKMT2ASMN1; SMN2MEN1NPC1
SCHEMBL7663717 0.74 KDM4E (0.65) RAB9AKMT2ASMN1; SMN2MEN1NPC1
SCHEMBL6638013 0.73 TSHR (0.73) RAB9AKMT2ASMN1; SMN2MEN1NPC1
SCHEMBL7161947 0.72 KDM4E (0.72) RAB9AKMT2ASMN1; SMN2MEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6380243-B1 INCLUDING HUMAN CYTOMEGALOVIRUS, HERPES SIMPLEX VIRUSES, EPSTEIN-BARR VIRUS, VARICELLA-ZOSTER VIRUS, HUMAN HERPESVIRUSES- 6 AND -7, AND KAPOSI HERPESVIRUS. AMERICAN HOME PRODUCTS CORPORATION 2002-04-30 — — US disclosed
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