SCHEMBL9410189

SCHEMBL9410189

CCCCCCc1nc([N+](=O)[O-])cn1CC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MITF O75030 1/20 0.44
ALDH1A1 P00352 2/20 0.43
PKM P14618 2/20 0.43
KMT2A Q03164 2/20 0.42
LMNA P02545 2/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
S1PR1 P21453 1/20 0.36
TAAR1 Q96RJ0 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
SCHEMBL28336410 0.75 S1PR1 (0.36) ALDH1A1LMNAS1PR1
SCHEMBL5405731 0.73 MITF (0.65) MITFALDH1A1PKMKMT2ALMNA
SCHEMBL3964672 0.72 AGTR1 (0.46) ALDH1A1KMT2AS1PR1
SCHEMBL27528516 0.72 AGTR1 (0.46) ALDH1A1KMT2AS1PR1
SCHEMBL543481 0.71 AGTR1 (0.46) ALDH1A1KMT2AS1PR1
SCHEMBL31433442 0.71 AGTR1 (0.46) ALDH1A1KMT2AS1PR1
SCHEMBL9088435 0.71 MITF (0.55) MITFALDH1A1PKMKMT2AGAA
SCHEMBL4860544 0.71 ALDH1A1 (0.69) MITFALDH1A1PKMKMT2A
SCHEMBL2445825 0.69 ALDH1A1 (0.61) MITFALDH1A1PKMKMT2ALMNA
SCHEMBL14181603 0.67 ALDH1A1 (0.73) MITFALDH1A1PKMKMT2ALMNA

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-0621269-A1 Alkyl substituted nitroimidazole acetic acids ELI LILLY AND COMPANY (US) 1994-10-26 EP claimed