SCHEMBL5593300

SCHEMBL5593300

Cc1ncc([N+](=O)[O-])cc1CC=O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.39
HTT P42858 2/20 0.39
ALDH1A1 P00352 3/20 0.38
KMT2A Q03164 2/20 0.37
HSP90AA1 P07900 1/20 0.37
CXCR5 P32302 1/20 0.37
APLNR P35414 1/20 0.37
RAB9A P51151 1/20 0.37
CCR6 P51684 1/20 0.37
GFER P55789 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 3/20 0.36
TSHR P16473 1/20 0.36
GAA P10253 1/20 0.35
IDO1 P14902 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL22437378 0.80 ALDH1A1 (0.38) POLBHTTALDH1A1KMT2ARAB9A
SCHEMBL16181780 0.79 POLB (0.43) POLBHTTALDH1A1KMT2AHSP90AA1
SCHEMBL11722261 0.75 ERN1 (0.46) HTTALDH1A1KMT2AMEN1MAPT
SCHEMBL5592987 0.74 NOS3 (0.36) ALDH1A1KMT2AMEN1
SCHEMBL16975394 0.73 ALDH1A1 (0.56) POLBHTTALDH1A1KMT2AMEN1
SCHEMBL3942261 0.73 ALDH1A1 (0.50) HTTALDH1A1KMT2AMEN1TSHR
SCHEMBL29606539 0.73 ALDH1A1 (0.50) HTTALDH1A1KMT2AMEN1TSHR
SCHEMBL21591671 0.73 ALDH1A1 (0.34) HTTALDH1A1KMT2AMEN1SMN1; SMN2
Ammonia Solution, Strong SCHEMBL27652614 0.72 ALDH1A1 (0.48) HTTALDH1A1KMT2AHSP90AA1CXCR5
SCHEMBL3934740 0.72 ALDH1A1 (0.50) POLBHTTALDH1A1KMT2AMEN1

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-3710435-A1 OX1 ANTAGONISTS Heptares Therapeutics Limited (GB) 2020-09-23 EP disclosed
WO-2007075896-A2 HETEROCYCLIC CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-07-05 WO disclosed