SCHEMBL9806735

SCHEMBL9806735

CNc1ccc(S(=O)(=O)c2ccc(N(C)C)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.61
ALOX15 P16050 3/20 0.61
HSD17B10 Q99714 3/20 0.61
HPGD P15428 2/20 0.61
KDM4E B2RXH2 1/20 0.61
MAPT P10636 4/20 0.53
TDP1 Q9NUW8 3/20 0.53
LMNA P02545 2/20 0.53
MAPK1 P28482 1/20 0.53
GFER P55789 1/20 0.53
MCL1 Q07820 1/20 0.53
CA2 P00918 6/20 0.52
CA1 P00915 4/20 0.52
CA12 O43570 4/20 0.52
CA9 Q16790 5/20 0.47
RAB9A P51151 2/20 0.45
PPARG P37231 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
NR2E3 Q9Y5X4 1/20 0.45
NCOR2 Q9Y618 1/20 0.45

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
SCHEMBL4575039 0.85 ALDH1A1 (0.79) ALDH1A1ALOX15HSD17B10HPGDKDM4E
SCHEMBL8418962 0.85 CA12 (0.67) ALDH1A1ALOX15HSD17B10HPGDKDM4E
SCHEMBL146321 0.83 ALDH1A1 (0.61) ALDH1A1ALOX15HSD17B10HPGDKDM4E
Hydrochloric Acid SCHEMBL10664947 0.81 ALDH1A1 (0.58) ALDH1A1ALOX15HSD17B10HPGDKDM4E
Hydrochloric Acid SCHEMBL9693558 0.81 ALDH1A1 (0.58) ALDH1A1ALOX15HSD17B10HPGDKDM4E
SCHEMBL19681874 0.78 GAA (0.70) ALDH1A1ALOX15HSD17B10HPGDKDM4E
SCHEMBL6976640 0.78 HTR6 (0.61) ALDH1A1ALOX15HSD17B10HPGDKDM4E
SCHEMBL5530195 0.77 ALDH1A1 (0.52) ALDH1A1ALOX15HSD17B10HPGDKDM4E
SCHEMBL18270518 0.76 ALDH1A1 (0.55) ALDH1A1ALOX15HSD17B10HPGDKDM4E
SCHEMBL9013018 0.76 ALDH1A1 (0.66) ALDH1A1ALOX15HSD17B10HPGDKDM4E

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
US-4996279-A Crosslinked epoxies from diepoxides, diphenols, primary and secondary amines with stiff and flexible units; melt processability SHELL OIL COMPANY (US) 1991-02-26 US disclosed
US-4960912-A EPOXY RESINS, POLYEPOXDIES SHELL OIL COMPANY (US) 1990-10-02 US disclosed