SCHEMBL29074802

SCHEMBL29074802

Nc1ccc(Nc2ccc(C(F)(F)F)cc2)c(-c2nnn(Cc3ccccc3F)n2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.54
▸ RAB9A P51151 3/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ NFKB2 Q00653 1/20 0.42
▸ RELA Q04206 1/20 0.42
▸ MAPT P10636 4/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ ATM Q13315 2/20 0.42
▸ RECQL P46063 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.39
▸ MEN1 O00255 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ GFER P55789 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ EPHX2 P34913 1/20 0.37
▸ HDAC6 Q9UBN7 2/20 0.36
▸ POLB P06746 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
SCHEMBL21091053 0.89 RAB9A (0.44) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL21053210 0.86 ATM (0.57) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL30061300 0.86 ATM (0.57) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL21053119 0.84 ATM (0.47) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL20779713 0.83 TEAD1 (0.52) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL29074757 0.83 ATM (0.43) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL21091031 0.80 MPO (0.43) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL21090690 0.79 RAB9A (0.42) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL25791128 0.78 ATM (0.46) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL21054113 0.78 ATM (0.55) NPC1RAB9ASMN1; SMN2MAPTALDH1A1

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
CN-116761795-A Inhibitors of Transcription Enhancement Associated Domain (TEAD) and uses thereof 达纳-法伯癌症研究所股份有限公司 2023-09-15 — — CN disclosed
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