SCHEMBL31053568

SCHEMBL31053568

Nc1ccc(-c2ccc(N3CCC(C(F)(F)F)CC3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.49
▸ ALDH1A1 P00352 5/20 0.49
▸ GFER P55789 4/20 0.49
▸ LMNA P02545 3/20 0.49
▸ HTT P42858 2/20 0.49
▸ TDP1 Q9NUW8 2/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ KDM4E B2RXH2 3/20 0.46
▸ GAA P10253 3/20 0.46
▸ L3MBTL1 Q9Y468 3/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ TP53 P04637 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ USP2 O75604 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ RAB9A P51151 1/20 0.46

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
SCHEMBL10035931 0.95 MAPT (0.53) MAPTALDH1A1GFERLMNAHTT
SCHEMBL15189523 0.77 ADRB1 (0.48) MAPTALDH1A1LMNAHTTTDP1
SCHEMBL30885146 0.77 L3MBTL3 (0.40) MAPTLMNAHTTMAPK1KDM4E
SCHEMBL25042402 0.77 L3MBTL3 (0.40) MAPTLMNAHTTMAPK1L3MBTL1
SCHEMBL7755392 0.77 MBTD1 (0.52) LMNAMAPK1L3MBTL1ALOX15HSD17B10
SCHEMBL25190338 0.77 MAPT (0.47) MAPTALDH1A1GFERLMNAHTT
SCHEMBL15187982 0.77 HRH3 (0.46) MAPTALDH1A1LMNAHTTTDP1
SCHEMBL25192443 0.77 ADRA2C (0.53) MAPTALDH1A1GFERLMNATDP1
SCHEMBL31053475 0.77 ADRA2C (0.53) MAPTALDH1A1GFERLMNATDP1
SCHEMBL25176108 0.76 GFER (0.46) MAPTALDH1A1GFERLMNAHTT

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-115151252-B Iron death inhibitor-diarylamine acetamides 维泰瑞隆有限公司 2024-08-27 — — CN disclosed
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