SCHEMBL17533446

SCHEMBL17533446

CCc1cc([N+](=O)[O-])c(C)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP3A4 P08684 2/20 0.42
RECQL P46063 1/20 0.42
MAPK1 P28482 1/20 0.40
PPIA P62937 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
VCAM1 P19320 3/20 0.40
PGK1 P00558 1/20 0.40
PDK1 Q15118 1/20 0.40
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL14928472 0.93 TSHR (0.42) TSHRALDH1A1CYP3A4RECQLMAPK1
SCHEMBL15365471 0.86 PPIA (0.41) TSHRALDH1A1CYP3A4RECQLMAPK1
SCHEMBL1425442 0.85 ALDH1A1 (0.50) TSHRALDH1A1CYP3A4MAPK1VCAM1
SCHEMBL12658937 0.85 PDK1 (0.45) TSHRALDH1A1CYP3A4MAPK1VCAM1
SCHEMBL12396038 0.82 TSHR (0.46) TSHRALDH1A1CYP3A4RECQLSMN1; SMN2
SCHEMBL29804082 0.82 TSHR (0.48) TSHRALDH1A1CYP3A4RECQLMAPK1
SCHEMBL3175084 0.82 TSHR (0.48) TSHRALDH1A1CYP3A4RECQLMAPK1
SCHEMBL7786706 0.81 ALDH1A1 (0.50) TSHRALDH1A1CYP3A4MAPK1VCAM1
SCHEMBL80032 0.80 PPIA (0.47) TSHRALDH1A1CYP3A4RECQLMAPK1
SCHEMBL29586844 0.80 PPIA (0.47) TSHRALDH1A1CYP3A4RECQLMAPK1

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-2016026937-A1 NEW SPIRO[3H-INDOLE-3,2´-PYRROLIDIN]-2(1H)-ONE COMPOUNDS AND DERIVATIVES AS MDM2-P53 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-02-25 WO disclosed