SCHEMBL20842967

SCHEMBL20842967

CCc1ccc2nc3c(cc2c1)Cn1c-3cc2c(c1=O)CCC(=O)[C@]2(O)CC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 18/20 0.61
▸ MEN1 O00255 3/20 0.61
▸ KMT2A Q03164 3/20 0.61
▸ SMN1; SMN2 Q16637 3/20 0.61
▸ KDM4E B2RXH2 3/20 0.61
▸ ALDH1A1 P00352 3/20 0.61
▸ CYP3A4 P08684 2/20 0.61
▸ HBB P68871 2/20 0.61
▸ CASP1 P29466 1/20 0.61
▸ CASP7 P55210 1/20 0.61
▸ TP53 P04637 2/20 0.58
▸ GLA P06280 2/20 0.58
▸ HPGD P15428 2/20 0.58
▸ STAT6 P42226 1/20 0.58
▸ CHEK1 O14757 1/20 0.58
▸ HDAC3 O15379 1/20 0.58
▸ ABCC4 O15439 1/20 0.58
▸ GMNN O75496 1/20 0.58
▸ LMNA P02545 1/20 0.58
▸ CYP1A2 P05177 1/20 0.58

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
SCHEMBL13551015 0.90 TOP1 (0.75) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL10005196 0.87 TOP1 (0.75) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL6786852 0.87 TOP1 (0.75) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL14576618 0.87 TOP1 (0.62) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL23358409 0.86 TOP1 (0.82) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL2986960 0.86 TOP1 (0.82) TOP1MEN1KMT2ASMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL28123033 0.85 TOP1 (0.81) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL6783214 0.85 TOP1 (0.61) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL16812223 0.82 TOP1 (0.59) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL16812231 0.81 TOP1 (0.53) TOP1MEN1KMT2ASMN1; SMN2KDM4E

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
EP-3459546-A1 MULTI-ARM POLYMERIC TARGETING ANTI-CANCER CONJUGATE Bright Gene Bio-Medical Technology Co., Ltd. (CN) 2019-03-27 — — EP disclosed
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