SCHEMBL9720764

SCHEMBL9720764

NC(=O)Cc1c([N+](=O)[O-])ccc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
MAPT P10636 3/20 0.48
GAA P10253 2/20 0.46
GLA P06280 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HPRT1 P00492 1/20 0.46
CASP6 P55212 1/20 0.43
CTSB P07858 1/20 0.42
HSP90AA1 P07900 1/20 0.41
HNF4A P41235 1/20 0.41
NCEH1 Q6PIU2 1/20 0.41
TSHR P16473 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
TNF P01375 1/20 0.40
NOD1 Q9Y239 1/20 0.40
CTSD P07339 1/20 0.40

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
SCHEMBL8671636 0.81 ALDH1A1 (0.55) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL6645351 0.78 ALDH1A1 (0.55) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL30065162 0.77 CTSB (0.50) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL10499144 0.76 ALDH1A1 (0.53) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL23499977 0.76 KDM4E (0.72) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL7060413 0.75 MAPT (0.48) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL7801284 0.75 ALDH1A1 (0.51) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL7059583 0.75 ALDH1A1 (0.51) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL6263857 0.75 ALDH1A1 (0.51) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL27353697 0.75 ALDH1A1 (0.51) ALDH1A1KDM4EMEN1KMT2AMAPT

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
US-5171880-A Sulfur or oxidized sulfur in a base ALLIED-SIGNAL INC. (US) 1992-12-15 US disclosed
US-5171891-A Using sulfur containing oxy acids and their salts ALLIED-SIGNAL INC. (US) 1992-12-15 US disclosed