SCHEMBL20619503

SCHEMBL20619503

O=Cc1ccc(NC(=O)c2cc(-c3cccs3)cnc2N2CC3(CCOCC3)C2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCK P08631 1/20 0.38
▸ NR2C2 P49116 1/20 0.38
▸ BTK Q06187 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ IKBKE Q14164 3/20 0.37
▸ TBK1 Q9UHD2 3/20 0.37
▸ MAPT P10636 2/20 0.37
▸ POLB P06746 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HDAC1 Q13547 7/20 0.36
▸ KCNH2 Q12809 4/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ GAK O14976 1/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ CNR2 P34972 1/20 0.35

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
SCHEMBL20619600 0.82 SCN10A (0.42) NPC1LMNARAB9ASMN1; SMN2MAPT
SCHEMBL20599108 0.82 GAK (0.42) NPC1RAB9ASMN1; SMN2MAPTPOLB
SCHEMBL24187946 0.82 BACE1 (0.37) MAPTALDH1A1
SCHEMBL20619615 0.81 SCN10A (0.37) LMNAMAPTALDH1A1
SCHEMBL20619501 0.81 NR4A2 (0.41) HCKNR2C2BTKRAB9ASMN1; SMN2
SCHEMBL24187976 0.80 LMNA (0.43) NPC1LMNARAB9ASMN1; SMN2MAPT
SCHEMBL20620052 0.79 ALDH1A1 (0.48) RAB9AMAPTALDH1A1
SCHEMBL20619918 0.73 SCN10A (0.41) RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL20598038 0.70 SCN10A (0.42) NPC1RAB9ASMN1; SMN2MAPTPOLB
SCHEMBL20619496 0.70 SCN10A (0.42) RAB9ASMN1; SMN2MAPTALDH1A1MEN1

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-2019006295-A1 HETEROCYCLIC COMPOUNDS AS RSV INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2019-01-03 — — WO disclosed
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