SCHEMBL10479999

SCHEMBL10479999

Cc1nccc2cc([N+](=O)[O-])sc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
HTT P42858 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
GALR2 O43603 1/20 0.40
MPI P34949 1/20 0.40
CCR6 P51684 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 6/20 0.39
KMT2A Q03164 6/20 0.39
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
MITF O75030 1/20 0.36
STAT3 P40763 2/20 0.35
ALOX15 P16050 1/20 0.35
CDK2 P24941 4/20 0.34
POLB P06746 2/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34

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
SCHEMBL20860726 0.73 CYP2A6 (0.47) MAPTHTTALDH1A1HPGDNPSR1
SCHEMBL11753842 0.73 CYP2A6 (0.41) MAPTALDH1A1MEN1KMT2ACDK2
SCHEMBL369158 0.70 CYP2A6 (0.38) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL10479794 0.70 CYP2A6 (0.38) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL17053161 0.68 CYP2A6 (0.33) CYP2A6
SCHEMBL25143012 0.66 NPC1 (0.43) MAPTSMN1; SMN2ALDH1A1HPGDMEN1
SCHEMBL10967877 0.66 ALDH1A1 (0.46) MAPTSMN1; SMN2HTTALDH1A1MEN1
SCHEMBL963271 0.65 KMT2A (0.39) MAPTSMN1; SMN2HTTALDH1A1MEN1
SCHEMBL6670441 0.64 TYMS (0.45) MAPTSMN1; SMN2HTTALDH1A1HPGD
SCHEMBL5852752 0.63 HSD17B10 (0.41) MAPTSMN1; SMN2HTTALDH1A1HPGD

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
US-4839365-A Thienopyridine derivatives useful in treating gastric ulcers SHINOGI & CO., LTD. (JP) 1989-06-13 US disclosed