SCHEMBL22306344

SCHEMBL22306344

CN1CCOc2ccc(-c3csc(NC(=O)CNC(=O)c4ccn(C)c4)n3)cc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 11/20 0.52
▸ SMN1; SMN2 Q16637 11/20 0.52
▸ NPC1 O15118 10/20 0.52
▸ MAPT P10636 9/20 0.52
▸ ALDH1A1 P00352 7/20 0.52
▸ LMNA P02545 7/20 0.52
▸ NFKB1 P19838 3/20 0.52
▸ NFKB2 Q00653 3/20 0.52
▸ RELA Q04206 3/20 0.52
▸ KMT2A Q03164 9/20 0.50
▸ MEN1 O00255 8/20 0.50
▸ GAA P10253 1/20 0.50
▸ KDM4E B2RXH2 3/20 0.49
▸ CLK1 P49759 2/20 0.49
▸ POLB P06746 3/20 0.44
▸ TSHR P16473 2/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ HTT P42858 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ KLKB1 P03952 1/20 0.41

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
SCHEMBL22306207 0.90 RAB9A (0.65) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL22306144 0.89 SMN1; SMN2 (0.47) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL25501032 0.81 SMN1; SMN2 (0.44) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL25501046 0.81 SMN1; SMN2 (0.44) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL22306193 0.80 RAB9A (0.46) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL22305951 0.80 MAPT (0.55) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL22305368 0.80 MAPT (0.49) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL22306617 0.79 RAB9A (0.44) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL22305784 0.79 RAB9A (0.43) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL22306345 0.78 ROCK2 (0.47) RAB9ASMN1; SMN2NPC1MAPTALDH1A1

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-2020160180-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2020-08-06 — — WO disclosed
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