SCHEMBL9636039

SCHEMBL9636039

COc1ccc(S(=O)(=O)O)cc1NNc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.49
LMNA P02545 3/20 0.44
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPK1 P28482 3/20 0.42
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA9 Q16790 2/20 0.41
ALOX15 P16050 1/20 0.41
MAPT P10636 2/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP13 P45452 1/20 0.40

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
SCHEMBL629604 0.82 ALDH1A1 (0.37) LMNAHTTSMN1; SMN2ALDH1A1MEN1
SCHEMBL10429489 0.80 CASR (0.55) CASRLMNAHTTSMN1; SMN2MAPK1
SCHEMBL14508914 0.78 CASR (0.51) CASRLMNAHTTSMN1; SMN2MAPK1
SCHEMBL9902951 0.78 SNCA (0.41) LMNAHTTSMN1; SMN2ALDH1A1MEN1
SCHEMBL28417802 0.77 KMT2A (0.61) CASRLMNAHTTSMN1; SMN2MAPK1
SCHEMBL8848749 0.76 LMNA (0.56) LMNASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL29362862 0.75 MAPK1 (0.70) LMNAHTTSMN1; SMN2MAPK1ALDH1A1
SCHEMBL3493614 0.75 MAPK1 (0.70) LMNAHTTSMN1; SMN2MAPK1ALDH1A1
SCHEMBL9813346 0.74 TIMP3 (0.51) LMNAHTTSMN1; SMN2ALDH1A1MEN1
Ammonia Solution, Strong SCHEMBL9646716 0.73 MAPK1 (0.68) LMNAHTTSMN1; SMN2MAPK1ALDH1A1

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
US-5175261-A Useful for coloring cellulose materials, animal furs or leather IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-12-29 US disclosed