SCHEMBL10698904

SCHEMBL10698904

O=S(=O)(Cl)c1ccc2cnncc2c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
HSD17B10 Q99714 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
CASP6 P55212 1/20 0.31
F2 P00734 1/20 0.30
PRSS1 P07477 1/20 0.30
PRSS2 P07478 1/20 0.30
PRSS3 P35030 1/20 0.30

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
SCHEMBL30357699 0.82 LMNA (0.48) ALDH1A1HSD17B10TDP1LMNAL3MBTL1
SCHEMBL2263563 0.82 LMNA (0.48) ALDH1A1HSD17B10TDP1LMNAL3MBTL1
SCHEMBL2263247 0.80 LMNA (0.46) ALDH1A1HSD17B10TDP1LMNAL3MBTL1
SCHEMBL30615201 0.80 LMNA (0.46) ALDH1A1HSD17B10TDP1LMNAL3MBTL1
SCHEMBL14509008 0.79 ALDH1A1 (0.50) ALDH1A1HSD17B10TDP1LMNAL3MBTL1
SCHEMBL28174372 0.79 LMNA (0.59) ALDH1A1HSD17B10TDP1LMNAMEN1
SCHEMBL5217117 0.79 PRKCZ (0.43) ALDH1A1HSD17B10TDP1LMNASMN1; SMN2
SCHEMBL31290786 0.79 IMPDH2 (0.43) ALDH1A1HSD17B10TDP1
SCHEMBL567493 0.79 IMPDH2 (0.43) ALDH1A1HSD17B10TDP1
SCHEMBL31468210 0.77 ALDH1A1 (0.38) ALDH1A1HSD17B10TDP1LMNAL3MBTL1

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-0286021-A2 Reactive azo dyes BASF Aktiengesellschaft (DE) 1988-10-12 EP disclosed