SCHEMBL27459191

SCHEMBL27459191

[N-]=[N+]=C(C(F)(F)F)S(=O)(=O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 5/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
HTR6 P50406 1/20 0.37
HSD11B1 P28845 3/20 0.37
TP53 P04637 2/20 0.37
NPC1 O15118 2/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
XBP1 P17861 2/20 0.37
RAB9A P51151 2/20 0.37
ATM Q13315 2/20 0.37
S1PR2 O95136 1/20 0.37
PRNP P04156 1/20 0.37
MAPK1 P28482 1/20 0.37
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
APOBEC3G Q9HC16 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
SCHEMBL65095 0.74 SMN1; SMN2 (0.46) SMN1; SMN2TSHRALDH1A1KMT2AHTR6
SCHEMBL2529463 0.73 SMN1; SMN2 (0.40) SMN1; SMN2TSHRALDH1A1KMT2AHSD11B1
SCHEMBL23277176 0.71 SMN1; SMN2 (0.47) SMN1; SMN2TSHRALDH1A1KMT2AHTR6
SCHEMBL28975816 0.70 SMN1; SMN2 (0.39) SMN1; SMN2TSHRALDH1A1KMT2AHTR6
SCHEMBL10072231 0.70 ALDH1A1 (0.40) SMN1; SMN2TSHRALDH1A1KMT2AHTR6
SCHEMBL3975777 0.69 SMN1; SMN2 (0.42) SMN1; SMN2TSHRALDH1A1KMT2AHTR6
SCHEMBL3169821 0.69 PKM (0.46) TSHRALDH1A1KMT2AMEN1HSD11B1
SCHEMBL3203604 0.69 HSD11B1 (0.39) SMN1; SMN2TSHRALDH1A1KMT2AHTR6
SCHEMBL3193127 0.68 SMN1; SMN2 (0.40) SMN1; SMN2TSHRALDH1A1KMT2AHTR6
SCHEMBL28789979 0.68 HTR6 (0.38) SMN1; SMN2TSHRALDH1A1KMT2AMEN1

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
CN-1145078-C Polymer and resist material ������ҩ��ҵ��ʽ���� 2004-04-07 CN disclosed
CN-1159453-A Polymer and resist material WAKO PURE CHEM IND LTD (JP) 1997-09-17 CN disclosed