SCHEMBL11730825

SCHEMBL11730825

COC(=O)c1cc(OC)c(C)c(C(=O)Nc2ccccn2)c1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 11/20 0.63
▸ RAB9A P51151 11/20 0.63
▸ SMN1; SMN2 Q16637 4/20 0.63
▸ MEN1 O00255 4/20 0.63
▸ KMT2A Q03164 4/20 0.63
▸ TP53 P04637 3/20 0.63
▸ GAA P10253 1/20 0.63
▸ L3MBTL1 Q9Y468 3/20 0.59
▸ F2 P00734 1/20 0.53
▸ FGFR3 P22607 1/20 0.50
▸ KDM4E B2RXH2 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ RXFP1 Q9HBX9 2/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ LMNA P02545 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
SCHEMBL11823640 0.83 ALDH1A1 (0.54) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL11729598 0.81 RAB9A (0.80) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL14637696 0.78 RAB9A (1.00) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL29764989 0.78 RAB9A (1.00) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL11401560 0.77 L3MBTL1 (0.82) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL11828587 0.77 NPC1 (0.64) NPC1RAB9ASMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL29765136 0.77 RAB9A (0.97) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL11729473 0.77 NPC1 (0.67) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL22834659 0.75 NPC1 (0.64) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL11727469 0.74 NPC1 (0.51) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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-4006239-A Benzoic acid amides for mycobacterium infections BAYER AKTIENGESELLSCHAFT (DT) 1977-02-01 — — US disclosed
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