SCHEMBL3272898

SCHEMBL3272898

Cc1c([N+](=O)[O-])cccc1C(F)(F)F.O=[N+]([O-])c1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
TDP1 Q9NUW8 1/20 0.45
HSD11B1 P28845 2/20 0.44
TSHR P16473 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
FFAR4 Q5NUL3 1/20 0.40
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
HSP90AA1 P07900 1/20 0.39
CXCR5 P32302 1/20 0.39
APLNR P35414 1/20 0.39
CCR6 P51684 1/20 0.39
CYTH2 Q99418 1/20 0.39
CA1 P00915 4/20 0.38
CA2 P00918 4/20 0.38
CA5A P35218 3/20 0.38
CA9 Q16790 3/20 0.38
CA12 O43570 2/20 0.38
CA3 P07451 2/20 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
SCHEMBL30800293 0.83 TDP1 (0.64) ALDH1A1TDP1TSHRSMN1; SMN2MAPT
SCHEMBL2431059 0.83 TDP1 (0.64) ALDH1A1TDP1TSHRSMN1; SMN2MAPT
SCHEMBL18424524 0.75 HSD11B1 (0.55) HSD11B1CA1CA2CA5ACA9
Trifluoromethanesulfonic Acid SCHEMBL28570941 0.74 CA1 (0.50) HSD11B1KMT2ACA1CA2CA5A
SCHEMBL9578 0.73 CA1 (0.61) ALDH1A1TDP1TSHRKMT2ACA1
SCHEMBL30002841 0.73 CA1 (0.61) ALDH1A1TDP1TSHRKMT2ACA1
Perflubutane SCHEMBL18424971 0.73 HSD11B1 (0.53) HSD11B1CA1CA2CA5ACA9
SCHEMBL19272432 0.72 ACHE (0.69) ALDH1A1MEN1MAPTKMT2AHSP90AA1
SCHEMBL17295223 0.72 CA2 (0.60) ALDH1A1TDP1MEN1KMT2ACYTH2
SCHEMBL29881086 0.72 KMT2A (0.56) ALDH1A1TDP1SMN1; SMN2MEN1KMT2A

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-20140295349-A1 BOTTOM ANTIREFLECTIVE MATERIALS AND COMPOSITIONS AZ ELECTRONIC MATERIALS (LUXEMBOURG) S.A.R.L. (US) 2014-10-02 US disclosed
US-20100183851-A1 Photoresist Image-forming Process Using Double Patterning CAO YI 2010-07-22 US disclosed
US-7691556-B2 Antireflective compositions for photoresists AZ ELECTRONIC MATERIALS USA CORP. (US) 2010-04-06 US disclosed
US-20060058468-A1 Antireflective compositions for photoresists MERCK PATENT GMBH (DE) 2006-03-16 US disclosed