SCHEMBL11620936

SCHEMBL11620936

CCCNC(=O)C(C)(C)n1cc(C)c(-c2ccccc2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ POLB P06746 2/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ HPGD P15428 2/20 0.42
▸ GAA P10253 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ TP53 P04637 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ PSEN1 P49768 1/20 0.37
▸ PSEN2 P49810 1/20 0.37
▸ APH1B Q8WW43 1/20 0.37
▸ NCSTN Q92542 1/20 0.37
▸ APH1A Q96BI3 1/20 0.37
▸ PSENEN Q9NZ42 1/20 0.37
▸ KDM5B Q9UGL1 2/20 0.36
▸ CKS1B P61024 1/20 0.36
▸ SKP1 P63208 1/20 0.36
▸ SKP2 Q13309 1/20 0.36
▸ NPC1 O15118 1/20 0.36

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
SCHEMBL11622966 0.93 MEN1 (0.45) MEN1KMT2APOLBALDH1A1HPGD
SCHEMBL11619369 0.90 ALDH1A1 (0.41) MEN1KMT2APOLBALDH1A1HPGD
SCHEMBL11624689 0.85 ALDH1A1 (0.48) POLBALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL11622323 0.83 LMNA (0.39) MEN1KMT2APOLBALDH1A1HPGD
SCHEMBL11621422 0.82 CSNK1D (0.41) MEN1KMT2APOLBALDH1A1HPGD
SCHEMBL11622312 0.81 AURKA (0.44) POLBALDH1A1GAAKDM4ETP53
SCHEMBL11623223 0.80 KMT2A (0.41) MEN1KMT2APOLBALDH1A1HPGD
SCHEMBL11623222 0.80 ALDH1A1 (0.39) MEN1KMT2APOLBALDH1A1GAA
SCHEMBL11620512 0.77 POLB (0.40) MEN1KMT2APOLBALDH1A1HPGD
SCHEMBL11622045 0.77 LMNA (0.44) MEN1KMT2APOLBALDH1A1HPGD

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
US-4072498-A HERBICIDES THE UPJOHN COMPANY (US) 1978-02-07 — — US claimed
US-4072498-A HERBICIDES THE UPJOHN COMPANY (US) 1978-02-07 — — US disclosed
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