SCHEMBL22306176

SCHEMBL22306176

Cn1ccc(C(=O)NCC(=O)Nc2nc(-c3ccc4c(c3)C(F)(F)CC4)cs2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 8/20 0.41
▸ SMN1; SMN2 Q16637 7/20 0.41
▸ NPC1 O15118 6/20 0.41
▸ MAPT P10636 5/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ LMNA P02545 3/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ POLB P06746 2/20 0.40
▸ KMT2A Q03164 9/20 0.40
▸ MEN1 O00255 8/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CLK1 P49759 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ TRPA1 O75762 2/20 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
SCHEMBL22305743 0.83 SMARCA2 (0.55) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL22306207 0.81 RAB9A (0.65) 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
SCHEMBL22305784 0.79 RAB9A (0.43) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL22305714 0.78 WNT3A (0.45) MAPTKMT2AMEN1CYP3A4TRPA1
SCHEMBL22306345 0.78 ROCK2 (0.47) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL22290647 0.78 PARP1 (0.47) MAPTALDH1A1CYP3A4
SCHEMBL31173242 0.78 PARP1 (0.47) MAPTALDH1A1CYP3A4

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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