SCHEMBL28070495

SCHEMBL28070495

Cc1cncc([N+](=O)[O-])c1N1CC[C@H](OC(=O)NC(C)(C)C)C1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MAPT P10636 6/20 0.36
TDP1 Q9NUW8 1/20 0.36
NTMT1 Q9BV86 4/20 0.34
ALDH1A1 P00352 2/20 0.34
OPRK1 P41145 1/20 0.33
POLB P06746 3/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
SMO Q99835 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
GPR174 Q9BXC1 1/20 0.31

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
SCHEMBL28070620 0.82 MAPT (0.41) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL28070569 0.82 MAPT (0.41) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL16522584 0.79 CTSK (0.42) PIM2
SCHEMBL27960218 0.76 CHRNB2 (0.49) RAB9AMAPTALDH1A1POLBCYP2C9
SCHEMBL16505918 0.76 ALDH1A1 (0.39) MEN1KMT2AMAPTTDP1ALDH1A1
SCHEMBL16505919 0.76 ALDH1A1 (0.39) MEN1KMT2AMAPTTDP1ALDH1A1
SCHEMBL28070539 0.76 MAPT (0.45) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL27925369 0.76 MAPT (0.54) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL19371093 0.75 BTK (0.48) MEN1KMT2AALDH1A1
SCHEMBL28070486 0.74 MAPT (0.41) MEN1KMT2ANPC1RAB9AMAPT

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
CN-105658653-A Furo- and thieno-pyridine carboxamide compounds useful as PIM kinase inhibitors 因赛特公司 2016-06-08 CN disclosed