SCHEMBL22305358

SCHEMBL22305358

CN1CCOc2ccc(-c3csc(NC(=O)CNC(=O)c4cn(C(C)(C)C#N)cn4)n3)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 11/20 0.47
▸ RAB9A P51151 10/20 0.47
▸ KMT2A Q03164 10/20 0.47
▸ MAPT P10636 10/20 0.47
▸ NPC1 O15118 9/20 0.47
▸ MEN1 O00255 9/20 0.47
▸ ALDH1A1 P00352 9/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ LMNA P02545 6/20 0.45
▸ NFKB1 P19838 3/20 0.45
▸ NFKB2 Q00653 3/20 0.45
▸ RELA Q04206 3/20 0.45
▸ GAA P10253 1/20 0.44
▸ CLK1 P49759 2/20 0.43
▸ POLB P06746 3/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ CYP3A4 P08684 1/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ HTR2B P41595 1/20 0.38

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
SCHEMBL22306144 0.88 SMN1; SMN2 (0.47) SMN1; SMN2RAB9AKMT2AMAPTNPC1
SCHEMBL22305344 0.87 SMN1; SMN2 (0.47) SMN1; SMN2RAB9AKMT2AMAPTNPC1
SCHEMBL22306344 0.80 RAB9A (0.52) SMN1; SMN2RAB9AKMT2AMAPTNPC1
SCHEMBL22306637 0.80 RAB9A (0.47) SMN1; SMN2RAB9AKMT2AMAPTNPC1
SCHEMBL31173287 0.75 CSNK2A2 (0.46) CYP3A4SLC6A2HTR2BSMARCA2SMARCA4
SCHEMBL22290504 0.75 CSNK2A2 (0.46) CYP3A4SLC6A2HTR2BSMARCA2SMARCA4
SCHEMBL25501032 0.74 SMN1; SMN2 (0.44) SMN1; SMN2RAB9AKMT2AMAPTNPC1
SCHEMBL25501046 0.74 SMN1; SMN2 (0.44) SMN1; SMN2RAB9AKMT2AMAPTNPC1
SCHEMBL22306207 0.70 RAB9A (0.65) SMN1; SMN2RAB9AKMT2AMAPTNPC1
SCHEMBL22306184 0.70 RAB9A (0.45) SMN1; SMN2RAB9AKMT2AMAPTNPC1

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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