SCHEMBL29890886

SCHEMBL29890886

COC(=O)c1cc(C(=O)Nc2ccc3cc(-c4ccccc4C(F)(F)F)n(C(=O)OC(C)(C)C)c3n2)n(C)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN10A Q9Y5Y9 2/20 0.35
▸ RBP4 P02753 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ HPGD P15428 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ NR1H2 P55055 1/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ SRC P12931 1/20 0.33
▸ F10 P00742 1/20 0.33
▸ TTK P33981 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ TP53 P04637 1/20 0.32
▸ GLA P06280 1/20 0.32

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
SCHEMBL22829335 1.00 SCN10A (0.35) SCN10ARBP4ALDH1A1HPGDMEN1
SCHEMBL22829330 0.90 SCN10A (0.37) SCN10ARBP4ALDH1A1HPGDMEN1
SCHEMBL20455643 0.87 SMN1; SMN2 (0.36) SCN10AALDH1A1HPGDMEN1LMNA
SCHEMBL28796103 0.79 NR1H2 (0.34) RBP4ALDH1A1SMN1; SMN2NR1H2TTK
SCHEMBL20455624 0.78 KIT (0.42) SCN10ARBP4ALDH1A1HPGDMEN1
SCHEMBL29890757 0.78 KIT (0.42) SCN10ARBP4ALDH1A1HPGDMEN1
SCHEMBL21657834 0.78 NR1H2 (0.38) LMNANR1H2ABL1TTKNTRK1
SCHEMBL21657879 0.76 PIP4K2C (0.41) ALDH1A1HPGDLMNASMN1; SMN2NPC1
SCHEMBL21657878 0.75 NR1H2 (0.39) LMNANR1H2TTKPOLB
SCHEMBL29891744 0.75 NR1H2 (0.39) LMNANR1H2TTKPOLB

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-110248940-B Aryl hydrocarbon receptor (AhR) modulator compounds 菲尼克斯药品股份公司 2022-07-01 — — CN disclosed
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