SCHEMBL30804603

SCHEMBL30804603

Cc1ccc(N(c2ccc(C)cc2)c2ccc(C(=O)c3c(O)c4ccccc4n(C)c3=O)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.59
▸ KDM4E B2RXH2 4/20 0.58
▸ MEN1 O00255 7/20 0.57
▸ KMT2A Q03164 7/20 0.57
▸ PGR P06401 1/20 0.57
▸ NLRP3 Q96P20 2/20 0.54
▸ GAA P10253 2/20 0.53
▸ NPC1 O15118 8/20 0.53
▸ MAPT P10636 4/20 0.53
▸ LMNA P02545 3/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ L3MBTL1 Q9Y468 2/20 0.53
▸ HPGD P15428 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ RAB9A P51151 6/20 0.52
▸ PRNP P04156 1/20 0.50
▸ RXFP1 Q9HBX9 1/20 0.50
▸ TP53 P04637 2/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL27212336 1.00 ALDH1A1 (0.59) ALDH1A1KDM4EMEN1KMT2APGR
SCHEMBL24864731 0.94 KMT2A (0.65) ALDH1A1KDM4EMEN1KMT2APGR
SCHEMBL30171504 0.90 KMT2A (0.61) ALDH1A1KDM4EMEN1KMT2APGR
SCHEMBL27212350 0.90 KMT2A (0.61) ALDH1A1KDM4EMEN1KMT2APGR
SCHEMBL30804578 0.84 ALDH1A1 (0.72) ALDH1A1KDM4EMEN1KMT2APGR
SCHEMBL24864976 0.84 ALDH1A1 (0.72) ALDH1A1KDM4EMEN1KMT2APGR
SCHEMBL24865067 0.83 KMT2A (0.56) ALDH1A1KDM4EMEN1KMT2APGR
SCHEMBL24864974 0.82 KMT2A (0.66) ALDH1A1KDM4EMEN1KMT2APGR
Water SCHEMBL30804585 0.81 ALDH1A1 (0.68) ALDH1A1KDM4EMEN1KMT2APGR
SCHEMBL24864729 0.79 ALDH1A1 (0.60) ALDH1A1KDM4EMEN1KMT2APGR

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-117616032-A Rare earth complex 东曹株式会社 2024-02-27 — — CN disclosed
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