SCHEMBL22814963

SCHEMBL22814963

Cc1ccc(N2CCN(C(=O)C3CCCC(C4CCC4)CC3)CC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.65
▸ KMT2A Q03164 3/20 0.65
▸ ALDH1A1 P00352 2/20 0.65
▸ MEN1 O00255 2/20 0.65
▸ TDP1 Q9NUW8 1/20 0.61
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ TSHR P16473 3/20 0.52
▸ CTSB P07858 1/20 0.49
▸ CTSK P43235 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ AKR1C3 P42330 1/20 0.49
▸ GPR119 Q8TDV5 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ NAMPT P43490 2/20 0.47
▸ TP53 P04637 1/20 0.47

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
SCHEMBL22814978 0.99 MAPT (0.64) MAPTKMT2AALDH1A1MEN1TDP1
SCHEMBL22814983 0.97 MAPT (0.61) MAPTKMT2AALDH1A1MEN1TDP1
SCHEMBL22542070 0.90 ALDH1A1 (0.69) MAPTKMT2AALDH1A1MEN1TDP1
SCHEMBL19187554 0.90 TDP1 (0.73) MAPTKMT2AALDH1A1MEN1TDP1
SCHEMBL22814979 0.89 ALDH1A1 (0.68) MAPTKMT2AALDH1A1MEN1TDP1
SCHEMBL22814982 0.89 ALDH1A1 (0.68) MAPTKMT2AALDH1A1MEN1TDP1
SCHEMBL27363823 0.82 TDP1 (0.61) MAPTKMT2AALDH1A1MEN1TDP1
SCHEMBL5167845 0.80 NPC1 (0.57) MAPTKMT2AALDH1A1MEN1TDP1
SCHEMBL26706252 0.79 MAPT (0.69) MAPTKMT2AALDH1A1MEN1TDP1
SCHEMBL189163 0.79 ALDH1A1 (0.69) MAPTKMT2AALDH1A1MEN1TDP1

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-2020257278-A2 SMALL MOLECULE TARGET BROMO/ACETYL PROTEINS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-12-24 — — WO disclosed
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