SCHEMBL21889640

SCHEMBL21889640

C=Cn1c(C)cc(C)c1C(=O)Nc1ccc(F)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.46
▸ NPC1 O15118 3/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.42
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ MAPT P10636 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ MAOB P27338 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ MAOA P21397 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ KCNQ3 O43525 1/20 0.40
▸ KCNQ2 O43526 1/20 0.40
▸ HPGD P15428 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ SENP8 Q96LD8 1/20 0.39
▸ SENP7 Q9BQF6 1/20 0.39

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
SCHEMBL19332135 0.81 RAB9A (0.50) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL25063497 0.74 RAB9A (0.43) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL21889763 0.73 RAB9A (0.42) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL23082190 0.72 RAB9A (0.49) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL24890524 0.71 RAB9A (0.55) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL24890437 0.69 RAB9A (0.46) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL17465718 0.69 NPC1 (0.64) RAB9ANPC1SMN1; SMN2LMNAMAOB
SCHEMBL22501505 0.68 AR (0.52) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL29493102 0.68 AR (0.52) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL7621031 0.68 TGM2 (0.65) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA

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
WO-2020072955-A1 MONOMER AND MULTIMERIC ANTI-HBV AGENTS EMORY UNIVERSITY (US) 2020-04-09 — — WO disclosed
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