SCHEMBL19983741

SCHEMBL19983741

CNCc1c[nH]c2cc(Nc3ccc(OC)cc3[N+](=O)[O-])ccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.51
AKR1C2 P52895 3/20 0.51
ALDH3A1 P30838 1/20 0.50
MAPT P10636 9/20 0.49
MAPK1 P28482 3/20 0.49
TDP1 Q9NUW8 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
ALDH1A1 P00352 1/20 0.49
AKR1B10 O60218 1/20 0.48
AKR1B1 P15121 1/20 0.48
AKR1C4 P17516 1/20 0.48
AKR1C1 Q04828 1/20 0.48
GAA P10253 2/20 0.45
HPGD P15428 2/20 0.44
LMNA P02545 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KCNMA1 Q12791 1/20 0.42
HTR2A P28223 2/20 0.42
THRB P10828 1/20 0.41
MTNR1A P48039 1/20 0.41

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
SCHEMBL19984215 0.83 GAA (0.47) MAPTALDH1A1GAASMN1; SMN2HTR2A
SCHEMBL19983830 0.82 HTR2A (0.48) MAPTALDH1A1SMN1; SMN2HTR2AMTNR1A
SCHEMBL19983831 0.80 HTR2A (0.49) MAPTMAPK1TDP1L3MBTL1ALDH1A1
SCHEMBL19984134 0.78 HTR2A (0.41) MAPTMAPK1LMNASMN1; SMN2HTR2A
SCHEMBL19984156 0.74 MEN1 (0.38) MAPTTDP1L3MBTL1MTNR1AMTNR1B
SCHEMBL19984222 0.74 CDK2 (0.41) MAPK1LMNASMN1; SMN2HTR2AMTNR1A
SCHEMBL19984013 0.74 HTR2A (0.35) ALDH1A1SMN1; SMN2HTR2AMTNR1AMTNR1B
SCHEMBL19984242 0.73 HTR2A (0.44) MAPTALDH1A1SMN1; SMN2HTR2AMTNR1A
SCHEMBL19983869 0.73 MMP2 (0.46) AKR1C3ALDH1A1LMNASMN1; SMN2HTR2A
SCHEMBL19983880 0.73 MEN1 (0.36) ALDH1A1SMN1; SMN2HTR2AMTNR1AMTNR1B

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
EP-3052484-B1 SULFONYLINDOLE DERIVATIVES AND METHOD FOR PREPARING THE SAME DAE WOONG PHARMA (KR) 2018-03-21 EP disclosed