SCHEMBL11241510

SCHEMBL11241510

O=C1OC(=O)c2cc([N+](=O)[O-])c(C(=O)O)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DTYMK P23919 1/20 0.46
ALDH1A1 P00352 3/20 0.46
TSHR P16473 1/20 0.44
GPR35 Q9HC97 2/20 0.41
MAPT P10636 1/20 0.41
MCL1 Q07820 1/20 0.41
CDC25B P30305 1/20 0.40
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
CASP6 P55212 2/20 0.40
DNA2 P51530 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
TYMS P04818 1/20 0.39
CES2 O00748 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL772686 0.81 ALDH1A1 (0.59) ALDH1A1TSHRGPR35MAPTMCL1
SCHEMBL11697530 0.79 DTYMK (0.60) DTYMKALDH1A1TSHRGPR35MAPT
SCHEMBL540750 0.79 TYMS (0.50) ALDH1A1TSHRGPR35MAPTCDC25B
SCHEMBL30775472 0.77 DTYMK (0.58) DTYMKALDH1A1TSHRGPR35MAPT
SCHEMBL21291914 0.77 ALDH1A1 (0.50) ALDH1A1TSHRGPR35MAPTMCL1
SCHEMBL11317819 0.75 DTYMK (0.56) DTYMKALDH1A1TSHRGPR35MAPT
SCHEMBL11241523 0.75 DTYMK (0.56) DTYMKALDH1A1TSHRGPR35MAPT
SCHEMBL11657285 0.73 ALDH1A1 (0.50) ALDH1A1TSHRMAPTMCL1TYMS
SCHEMBL6554303 0.73 ALDH1A1 (0.50) ALDH1A1TSHRMAPTMCL1TYMS
SCHEMBL2721268 0.73 DTYMK (0.50) DTYMKALDH1A1TSHRGPR35CASP6

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4365068-A Crosslinkable bis-imidyl derivatives CIBA-GEIGY CORPORATION (US) 1982-12-21 US disclosed
US-4280946-A Crosslinkable bis-imidyl derivatives CIBA-GEIGY CORPORATION (US) 1981-07-28 US disclosed
US-4219481-A Crosslinkable bis-imidyl derivatives CIBA-GEIGY CORPORATION (US) 1980-08-26 US disclosed
US-4126619-A CROSSLINKABLE BIS-IMIDYL DERIVATIVES CIBA-GEIGY CORPORATION (US) 1978-11-21 US disclosed