SCHEMBL17878628

SCHEMBL17878628

CN1NC(NC(=O)c2cccc([N+](=O)[O-])c2)C2=C1C(C)(C)N(C(=O)OC(C)(C)C)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
ALDH1A1 P00352 4/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
NR3C2 P08235 1/20 0.39
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
ATM Q13315 1/20 0.38
POLB P06746 1/20 0.38
MCL1 Q07820 1/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37

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
SCHEMBL17878721 0.84 MAPT (0.41) MAPTALDH1A1L3MBTL1LMNAHPGD
SCHEMBL17878626 0.80 L3MBTL1 (0.44) ALDH1A1L3MBTL1KMT2AMEN1NPC1
SCHEMBL17872129 0.73 KMT2A (0.43) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL17872158 0.72 KMT2A (0.43) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL17872164 0.72 NTRK1 (0.60)
SCHEMBL18051110 0.72 USP30 (0.55) MAPTALDH1A1L3MBTL1LMNAHPGD
SCHEMBL17878748 0.72 MAPT (0.43) MAPTALDH1A1L3MBTL1LMNAHPGD
SCHEMBL17872102 0.68 KMT2A (0.44) MAPTALDH1A1L3MBTL1LMNAHPGD
SCHEMBL17878694 0.67 MAPT (0.41) MAPTALDH1A1L3MBTL1LMNAHPGD
SCHEMBL17878730 0.67 SMN1; SMN2 (0.44) MAPTALDH1A1LMNAHPGDNR3C2

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