SCHEMBL5604172

SCHEMBL5604172

Cc1ccc([N+](=O)[O-])cc1-c1cc(C(=O)C#Cc2ccccc2)on1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.49
NPSR1 Q6W5P4 6/20 0.49
KMT2A Q03164 6/20 0.49
ALDH1A1 P00352 5/20 0.49
MEN1 O00255 5/20 0.49
HSP90AA1 P07900 4/20 0.49
HTT P42858 3/20 0.49
OPRK1 P41145 2/20 0.49
MITF O75030 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
S1PR2 O95136 1/20 0.46
TGM2 P21980 2/20 0.40
TDP1 Q9NUW8 4/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
ALOX12 P18054 1/20 0.39
NPC1 O15118 1/20 0.38
AGTR1 P30556 1/20 0.38
RAB9A P51151 1/20 0.38
PAX8 Q06710 1/20 0.38

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
SCHEMBL5593509 0.82 GAA (0.44) MAPTKMT2AALDH1A1MEN1TDP1
SCHEMBL5593513 0.82 GAA (0.44) MAPTKMT2AALDH1A1MEN1TDP1
SCHEMBL14473328 0.79 ALDH1A1 (0.43) MAPTKMT2AALDH1A1MEN1HTT
Hydrochloric Acid SCHEMBL5593031 0.78 ALDH1A1 (0.42) MAPTKMT2AALDH1A1MEN1HTT
SCHEMBL5593426 0.74 GABRA1 (0.43) MAPTNPSR1KMT2AALDH1A1MEN1
SCHEMBL5593350 0.72 SMN1; SMN2 (0.52) MAPTALDH1A1HTTSMN1; SMN2TDP1
SCHEMBL5593369 0.71 ALDH1A1 (0.40) MAPTKMT2AALDH1A1MEN1HTT
SCHEMBL5593372 0.70 KMT2A (0.42) MAPTKMT2AALDH1A1MEN1HTT
SCHEMBL5593366 0.70 KMT2A (0.42) MAPTKMT2AALDH1A1MEN1HTT
SCHEMBL23613437 0.67 ALDH1A1 (1.00) MAPTNPSR1KMT2AALDH1A1MEN1

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-2007075896-A2 HETEROCYCLIC CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-07-05 WO disclosed