SCHEMBL28900944

SCHEMBL28900944

CC(C)c1ccc(NC(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.71
▸ POLB P06746 2/20 0.71
▸ MEN1 O00255 9/20 0.65
▸ KMT2A Q03164 9/20 0.65
▸ ALDH1A1 P00352 4/20 0.65
▸ GMNN O75496 1/20 0.65
▸ TTR P02766 1/20 0.65
▸ CYP1A2 P05177 1/20 0.65
▸ CYP3A4 P08684 1/20 0.65
▸ CYP2C9 P11712 1/20 0.65
▸ PKM P14618 1/20 0.65
▸ NFKB1 P19838 1/20 0.65
▸ UGT1A1 P22309 1/20 0.65
▸ PTGS1 P23219 1/20 0.65
▸ PTGS2 P35354 1/20 0.65
▸ PMP22 Q01453 1/20 0.65
▸ DHODH Q02127 1/20 0.65
▸ TEAD4 Q15561 1/20 0.65
▸ HIF1A Q16665 1/20 0.65
▸ GPR35 Q9HC97 1/20 0.65

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
SCHEMBL28689427 0.88 LMNA (0.72) LMNAPOLBMEN1KMT2AALDH1A1
SCHEMBL28678451 0.87 MEN1 (0.72) LMNAPOLBMEN1KMT2AALDH1A1
SCHEMBL12608890 0.83 LMNA (0.79) LMNAPOLBMEN1KMT2AALDH1A1
SCHEMBL5836241 0.81 LMNA (0.65) LMNAPOLBMEN1KMT2AALDH1A1
SCHEMBL5953848 0.81 LMNA (0.78) LMNAPOLBMEN1KMT2AALDH1A1
SCHEMBL6105933 0.81 LMNA (0.56) LMNAPOLBMEN1KMT2AALDH1A1
SCHEMBL4767625 0.80 KMT2A (0.64) LMNAPOLBMEN1KMT2AALDH1A1
SCHEMBL18689435 0.80 LMNA (0.60) LMNAPOLBMEN1KMT2AALDH1A1
Niflumic Acid SCHEMBL29364001 0.80 DHODH (1.00) LMNAPOLBMEN1KMT2AALDH1A1
Niflumic Acid SCHEMBL24706 0.80 DHODH (1.00) LMNAPOLBMEN1KMT2AALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111909053-B Diarylamine unit-based amide derivative and preparation method and application thereof 湖北省生物农药工程研究中心 2022-12-06 — — CN disclosed
CN-111909053-A Diarylamine unit-based amide derivative and preparation method and application thereof 湖北省生物农药工程研究中心 2020-11-10 — — CN disclosed
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