SCHEMBL31179966

SCHEMBL31179966

O=C1C=CC(=O)N1c1cc(C(c2ccc(O)c(N3C(=O)C=CC3=O)c2)(C(F)(F)F)C(F)(F)F)ccc1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.40
▸ ESR2 Q92731 1/20 0.40
▸ HSP90AA1 P07900 4/20 0.40
▸ NPSR1 Q6W5P4 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ PMP22 Q01453 1/20 0.40
▸ KCNMA1 Q12791 1/20 0.40
▸ TLR9 Q9NR96 3/20 0.37
▸ MGLL Q99685 12/20 0.36
▸ PKM P14618 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34

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
SCHEMBL9578153 0.81 MGLL (0.47) ESR1ESR2HSP90AA1NPSR1MAPT
SCHEMBL23133322 0.80 TYMS (0.43) ESR1ESR2HSP90AA1NPSR1MEN1
SCHEMBL21888605 0.80 ESR1 (0.48) ESR1ESR2HSP90AA1NPSR1MEN1
SCHEMBL9578147 0.79 MGLL (0.49) ESR1ESR2HSP90AA1NPSR1MAPT
SCHEMBL13292498 0.77 ALDH1A1 (0.42) ESR1NPSR1MEN1KMT2APKM
SCHEMBL18932803 0.75 MEN1 (0.46) MEN1KMT2AALDH1A1
SCHEMBL13416447 0.75 GAA (0.41) ESR2NPSR1MEN1KMT2ACYP3A4
SCHEMBL27719258 0.75 ESR1 (0.41) ESR1ESR2HSP90AA1MEN1KMT2A
SCHEMBL9610064 0.75 TYMS (0.47) ESR1ESR2HSP90AA1MEN1KMT2A
SCHEMBL14163304 0.73 ESR1 (0.36) ESR1ESR2HSP90AA1NPSR1MEN1

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-118772377-A Urea epoxy curing accelerator, epoxy conductive silver adhesive and preparation method 汉方新材料科技(嘉善)有限公司 2024-10-15 — — CN disclosed
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