SCHEMBL11007599

SCHEMBL11007599

Cc1nc(C)c(C(=O)OC(C)C)c(-c2cccc([N+](=O)[O-])c2)c1C(=O)OC(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.53
▸ KMT2A Q03164 4/20 0.53
▸ ALDH1A1 P00352 3/20 0.53
▸ ACHE P22303 2/20 0.48
▸ CACNA1C Q13936 2/20 0.48
▸ CACNB4 O00305 1/20 0.48
▸ CACNA1A O00555 1/20 0.48
▸ CACNA1G O43497 1/20 0.48
▸ CACNG3 O60359 1/20 0.48
▸ CACNA1F O60840 1/20 0.48
▸ CACNA1H O95180 1/20 0.48
▸ BCHE P06276 1/20 0.48
▸ CACNB3 P54284 1/20 0.48
▸ CACNA2D1 P54289 1/20 0.48
▸ CACNG7 P62955 1/20 0.48
▸ CACNA1B Q00975 1/20 0.48
▸ CACNA1D Q01668 1/20 0.48
▸ CACNB1 Q02641 1/20 0.48
▸ CACNG1 Q06432 1/20 0.48
▸ CACNB2 Q08289 1/20 0.48

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
SCHEMBL6949614 0.95 ALDH1A1 (0.49) MEN1KMT2AALDH1A1ACHECACNA1C
SCHEMBL6949618 0.95 ALDH1A1 (0.49) MEN1KMT2AALDH1A1ACHECACNA1C
SCHEMBL11011629 0.93 SMN1; SMN2 (0.58) MEN1KMT2AALDH1A1ACHECACNA1C
SCHEMBL11012029 0.91 CACNA1F (0.51) MEN1KMT2AALDH1A1ACHECACNA1C
SCHEMBL10744530 0.91 CACNA1F (0.49) MEN1KMT2AALDH1A1ACHECACNA1C
SCHEMBL10746107 0.90 KMT2A (0.48) MEN1KMT2AALDH1A1ACHECACNA1C
SCHEMBL31758234 0.90 KMT2A (0.58) MEN1KMT2AALDH1A1ACHECACNA1C
SCHEMBL10747132 0.90 CACNA1F (0.48) MEN1KMT2AALDH1A1ACHECACNA1C
SCHEMBL29415357 0.90 KMT2A (0.58) MEN1KMT2AALDH1A1ACHECACNA1C
SCHEMBL6955515 0.90 KMT2A (0.58) MEN1KMT2AALDH1A1ACHECACNA1C

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-4497821-A Medicaments having antihypoxic and ischaemia-protective activity BAYER AKTIENGESELLSCHAFT (DE) 1985-02-05 — — US disclosed
Send feedback