SCHEMBL31037489

SCHEMBL31037489

CC(C)(C)N1CCN(c2ccc(N)cc2C#Cc2ccc(F)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.39
▸ GAA P10253 4/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ ALDH1A1 P00352 7/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ GFER P55789 3/20 0.37
▸ LMNA P02545 3/20 0.37
▸ HTT P42858 3/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ KDM4E B2RXH2 3/20 0.35
▸ RAD52 P43351 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ NR4A1 P22736 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ PTK2B Q14289 1/20 0.34
▸ SLC6A9 P48067 1/20 0.33
▸ GPR55 Q9Y2T6 1/20 0.33

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
SCHEMBL31037289 0.81 GPR119 (0.44) MAPTALDH1A1LMNASLC6A9GPR55
SCHEMBL11364687 0.76 MAPT (0.60) MAPTGAAHSD17B10ALDH1A1L3MBTL1
SCHEMBL16993892 0.73 ALDH1A1 (0.69) MAPTGAAHSD17B10ALDH1A1L3MBTL1
SCHEMBL11299409 0.71 MAPT (0.65) MAPTGAAHSD17B10ALDH1A1GFER
SCHEMBL11296569 0.71 MAPT (0.66) MAPTGAAHSD17B10ALDH1A1L3MBTL1
SCHEMBL16719192 0.71 MAPT (0.53) MAPTGAAALDH1A1L3MBTL1GFER
SCHEMBL25133038 0.70 SLC6A9 (0.47) ALDH1A1L3MBTL1LMNASLC6A9
SCHEMBL12631516 0.70 ALDH1A1 (0.46) MAPTGAAALDH1A1L3MBTL1GFER
SCHEMBL31037275 0.67 APP (0.43) MAPTHSD17B10ALDH1A1GFERLMNA
SCHEMBL4611316 0.66 HSD11B1 (0.51) ALDH1A1L3MBTL1

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
WO-2024166024-A1 NEW COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 삼진제약주식회사 2024-08-15 — — WO disclosed
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