SCHEMBL9845752

SCHEMBL9845752

O=S(=O)(O)c1ccc(-c2[c]c3ccccc3cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 1/20 0.39
CYP2D6 P10635 1/20 0.39
LMNA P02545 3/20 0.38
ALDH1A1 P00352 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SNCA P37840 1/20 0.36
NT5E P21589 1/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
CYP2C19 P33261 3/20 0.35
CYP1A2 P05177 2/20 0.35
ENPP2 Q13822 1/20 0.34
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL5707294 0.84 PTGS2 (0.49) HDAC6PTGS2
SCHEMBL9418157 0.78 ESR1 (0.47) POLBALDH1A1MAPTCYP1A2HSD17B10
SCHEMBL3149589 0.77 ALDH1A1 (0.38) ALDH1A1TDP1CA1CA2CYP1A2
SCHEMBL79020 0.77 ALDH1A1 (0.35) TSHRALDH1A1TDP1HSD17B10
SCHEMBL7592241 0.75 SMN1; SMN2 (0.40) TSHRSMN1; SMN2POLBCYP2D6LMNA
SCHEMBL8355942 0.74 RAB9A (0.44) TSHRSMN1; SMN2POLBLMNAALDH1A1
SCHEMBL8325832 0.74 CYP1A2 (0.39) SMN1; SMN2KDM4EHTTL3MBTL1CYP2C19
SCHEMBL7139286 0.74 ALDH1A1 (0.41) SMN1; SMN2POLBALDH1A1TDP1KDM4E
SCHEMBL8359885 0.74 MEN1 (0.42) TSHRSMN1; SMN2POLBCYP2D6ALDH1A1
SCHEMBL321122 0.74 TDP1 (0.39) TSHRSMN1; SMN2POLBLMNAALDH1A1

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
EP-0436938-A2 Silver halide color photographic material containing yellow colored cyan coupler Fuji Photo Film Co., Ltd. (JP) 1991-07-17 EP disclosed