SCHEMBL11268003

SCHEMBL11268003

O=C(CN1CCCCC1CO)Nc1nc2cc3nc(NC(=O)CN4CCCCC4CO)sc3cc2s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CLK1 P49759 5/20 0.48
▸ TERT O14746 1/20 0.47
▸ KDM4E B2RXH2 2/20 0.44
▸ TSHR P16473 2/20 0.44
▸ PIK3CA P42336 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ HTT P42858 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ CSNK1D P48730 1/20 0.43
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ ACP1 P24666 1/20 0.42
▸ TP53 P04637 1/20 0.42

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
SCHEMBL11265296 0.91 TERT (0.48) CLK1TERTKDM4ETSHRPIK3CA
SCHEMBL11256488 0.90 ALDH1A1 (0.53) CLK1TERTKDM4ETSHRALDH1A1
SCHEMBL11272891 0.88 CSNK1D (0.48) CLK1KDM4ETSHRPIK3CAALDH1A1
SCHEMBL11269060 0.85 KMT2A (0.51) CLK1TERTKDM4ETSHRALDH1A1
SCHEMBL11266555 0.85 ALDH1A1 (0.48) CLK1TERTKDM4ETSHRPIK3CA
SCHEMBL11265331 0.80 KDM4E (0.62) CLK1KDM4ETSHRPIK3CAALDH1A1
SCHEMBL11269478 0.79 EGFR (0.47) CLK1KDM4ETSHRALDH1A1HTT
SCHEMBL11262482 0.78 KDM4E (0.64) CLK1KDM4ETSHRPIK3CAALDH1A1
SCHEMBL11265935 0.78 KDM4E (0.64) CLK1KDM4ETSHRPIK3CAALDH1A1
Hydrochloric Acid SCHEMBL11254026 0.77 KDM4E (0.63) CLK1KDM4ETSHRPIK3CAALDH1A1

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
US-4344946-A ANTIARTHRITICS, ANTIRHEUMATICS BOEHRINGER INGELHEIM GMBH (DE) 1982-08-17 — — US disclosed
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