SCHEMBL17878748

SCHEMBL17878748

CC(C)(C)OC(=O)N1CC(C(=N)NC(=O)c2cccc([N+](=O)[O-])c2)=C(N)C1(C)C

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
ALDH1A1 P00352 4/20 0.40
HPGD P15428 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
RAB9A P51151 1/20 0.39
SETD7 Q8WTS6 1/20 0.39

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
SCHEMBL17878694 0.91 MAPT (0.41) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL17878874 0.89 MEN1 (0.44) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL17878865 0.88 NR1H2 (0.38) ALDH1A1LMNASMN1; SMN2
SCHEMBL17878730 0.86 SMN1; SMN2 (0.44) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL17877915 0.82 MEN1 (0.46) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL17872129 0.73 KMT2A (0.43) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL17878721 0.72 MAPT (0.41) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL17878628 0.72 MAPT (0.41) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL17872158 0.72 KMT2A (0.43) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL17872164 0.72 NTRK1 (0.60)

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-2016105528-A2 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-06-30 WO disclosed