SCHEMBL30811101

SCHEMBL30811101

Cc1nn(-c2ccccc2)c(C)c1C=C(C#N)c1nc2ccccc2[nH]1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 10/20 0.60
▸ MEN1 O00255 10/20 0.60
▸ KMT2A Q03164 10/20 0.60
▸ SMN1; SMN2 Q16637 6/20 0.60
▸ RAB9A P51151 6/20 0.60
▸ NPC1 O15118 5/20 0.60
▸ POLB P06746 5/20 0.60
▸ LMNA P02545 4/20 0.60
▸ NPSR1 Q6W5P4 4/20 0.60
▸ NFKB1 P19838 1/20 0.60
▸ NFKB2 Q00653 1/20 0.60
▸ RELA Q04206 1/20 0.60
▸ KDM4E B2RXH2 6/20 0.57
▸ ALDH1A1 P00352 5/20 0.57
▸ TDP1 Q9NUW8 3/20 0.56
▸ THRB P10828 2/20 0.56
▸ ALOX12 P18054 2/20 0.56
▸ GAA P10253 1/20 0.56
▸ HPGD P15428 1/20 0.56
▸ APEX1 P27695 1/20 0.53

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
SCHEMBL24554021 1.00 MAPT (0.60) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL29871174 0.87 MAPT (0.51) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL30811098 0.87 MAPT (0.51) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL24553605 0.87 MAPT (0.51) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL24554078 0.84 MAPT (0.56) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL24554020 0.81 MAPT (0.48) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL30811105 0.81 MAPT (0.48) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL12351215 0.75 MAPT (0.65) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL27983608 0.75 MAPT (0.82) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL27983250 0.72 MAPT (1.00) MAPTMEN1KMT2ASMN1; SMN2RAB9A

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-112538078-B Polycyclic compound for inhibiting DHX33 helicase 成都开悦生命科技有限公司 2024-03-19 — — CN disclosed
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