SCHEMBL9508662

SCHEMBL9508662

CN(Cc1ccc(S(=O)(=O)c2ccccc2)cc1)c1ccc([N+](=O)[O-])c2c([N+](=O)[O-])cccc12

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TYMS P04818 4/20 0.59
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
MAPT P10636 3/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
LMNA P02545 2/20 0.42
RAB9A P51151 3/20 0.40
MAPK1 P28482 2/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
S1PR4 O95977 1/20 0.39
S1PR1 P21453 1/20 0.39
GFER P55789 1/20 0.39
PAX8 Q06710 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
POLB P06746 1/20 0.38
GALR3 O60755 1/20 0.38
NR2F2 P24468 1/20 0.38

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
SCHEMBL30936706 0.72 MAPT (0.59) KMT2AMEN1MAPTCRHBPCRHR2
SCHEMBL9588187 0.72 CRHBP (0.46) TYMSKMT2AMEN1MAPTCRHBP
SCHEMBL9508011 0.72 TYMS (0.73) TYMS
SCHEMBL9055262 0.71 TYMS (0.47) TYMSMAPTLMNAMAPK1ALDH1A1
SCHEMBL9586568 0.70 KMT2A (0.44) KMT2AMEN1MAPTCRHBPCRHR2
SCHEMBL12083406 0.69 ALDH1A1 (0.59) TYMSMAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL8016610 0.69 CYP19A1 (0.50) KMT2AMEN1RAB9AALDH1A1POLB
SCHEMBL9508035 0.68 TYMS (0.55) TYMSCRHBPCRHR2RAB9A
SCHEMBL19700164 0.68 MAPT (0.51) KMT2AMEN1MAPTCRHBPCRHR2
SCHEMBL5281106 0.67 MAPT (0.62) KMT2AMEN1MAPTCRHBPCRHR2

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
EP-0550566-A1 ANTIPROLIFERATIVE SUBSTITUTED NAPHTHALENE COMPOUNDS AGOURON PHARMACEUTICALS (US) 1993-07-14 EP disclosed
WO-1992005153-A1 ANTIPROLIFERATIVE SUBSTITUTED NAPHTHALENE COMPOUNDS AGOURON PHARMACEUTICALS, INC. (US) 1992-04-02 WO disclosed