SCHEMBL6141536

SCHEMBL6141536

CCCCOC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.74
SMN1; SMN2 Q16637 5/20 0.74
MEN1 O00255 3/20 0.74
ALDH1A1 P00352 5/20 0.57
LMNA P02545 1/20 0.57
MAPT P10636 1/20 0.57
KDM4E B2RXH2 1/20 0.56
PKM P14618 1/20 0.56
HRH2 P25021 1/20 0.55
HRH1 P35367 1/20 0.55
POLB P06746 2/20 0.55
GAA P10253 1/20 0.54
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA7 P43166 1/20 0.53
CA9 Q16790 1/20 0.53
CA14 Q9ULX7 1/20 0.53
ATM Q13315 1/20 0.53
HPGD P15428 2/20 0.52

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
SCHEMBL8301729 0.86 MGLL (0.64) KMT2ASMN1; SMN2MEN1ALDH1A1LMNA
SCHEMBL27464372 0.85 MAPT (0.79) KMT2ASMN1; SMN2MEN1ALDH1A1LMNA
SCHEMBL31495187 0.82 GAA (0.59) KMT2ASMN1; SMN2MEN1ALDH1A1KDM4E
SCHEMBL9152022 0.80 CA12 (0.77) KMT2ASMN1; SMN2MEN1ALDH1A1LMNA
SCHEMBL3028258 0.79 ALDH1A1 (0.49) KMT2ASMN1; SMN2MEN1ALDH1A1LMNA
SCHEMBL29742079 0.78 MAPT (0.55) KMT2ASMN1; SMN2MEN1ALDH1A1LMNA
SCHEMBL3568725 0.78 MAPT (0.64) KMT2ASMN1; SMN2MEN1ALDH1A1LMNA
SCHEMBL2375175 0.78 KMT2A (0.74) KMT2ASMN1; SMN2MEN1ALDH1A1LMNA
SCHEMBL7838695 0.78 PKM (0.64) KMT2ASMN1; SMN2MEN1ALDH1A1LMNA
SCHEMBL24641954 0.78 MAPT (0.83) KMT2ASMN1; SMN2MEN1ALDH1A1LMNA

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
EP-1551830-A2 HETEROCYCLICALLY SUBSTITUTED INDOLINONES AND THEIR USE AS RECEPTOR TYROSINE KINASE INHIBATORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-07-13 EP disclosed
WO-2004026829-A2 HETEROCYCLICALLY SUBSTITUTED INDOLINONES AND THEIR USE AS RECEPTOR TYROSINE KINASE INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-04-01 WO disclosed