SCHEMBL8917142

SCHEMBL8917142

CC(=O)Nc1ccc(C(OS(C)(=O)=O)c2cccc(Cl)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.46
KDM4E B2RXH2 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ATM Q13315 1/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPT P10636 1/20 0.43
BDKRB1 P46663 1/20 0.43
LMNA P02545 1/20 0.42
RORC P51449 2/20 0.42
MAPK1 P28482 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C1 Q04828 1/20 0.41
POLB P06746 1/20 0.41
IDO1 P14902 1/20 0.41

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
SCHEMBL8916253 0.78 ALDH1A1 (0.48) GAAKDM4ETDP1SMN1; SMN2MEN1
SCHEMBL31202692 0.74 POLB (0.54) GAAKDM4ETDP1SMN1; SMN2MEN1
SCHEMBL31202684 0.74 POLB (0.54) GAAKDM4ETDP1SMN1; SMN2MEN1
SCHEMBL4051685 0.71 CA1 (0.45) TDP1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL23033243 0.70 ADRB3 (0.53) GAAKDM4ETDP1MEN1KMT2A
SCHEMBL10923752 0.70 ABCC9 (0.65) GAAKDM4ETDP1SMN1; SMN2MEN1
SCHEMBL18272384 0.70 AOC3 (0.42)
SCHEMBL20483470 0.70 AOC3 (0.42)
SCHEMBL16943864 0.70 AOC3 (0.42)
SCHEMBL17831449 0.69 AOC3 (0.46) MEN1KMT2AALDH1A1IDO1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5612354-A CONTROLLING CELL GROWTH AND DIFFERENTIATION, RETINOIC ACID METABOLISM JANSSEN PHARMACEUTICA N.V. (BE) 1997-03-18 US disclosed
US-5441954-A Treatment of disorders characterized by increased proliferation and/or abnormal differentiation of cells JANSSEN PHARMACEUTICA N. V. (BE) 1995-08-15 US disclosed
EP-0371564-B1 (1H-azol-1-ylmethyl)substituted quinoline, quinazoline or quinoxaline derivatives JANSSEN PHARMACEUTICA NV (BE) 1995-07-12 EP disclosed
US-5268380-A Therapy for keratinization in mammals JANSSEN PHARMACEUTICA N.V. (BE) 1993-12-07 US disclosed
US-5185346-A Antiandrogenic agents; suppress elimination of retinoids; anticarcinogenic agents HANSSEN PHARMACEUTICA (BE) 1993-02-09 US disclosed
EP-0371564-A2 (1H-azol-1-ylmethyl)substituted quinoline, quinazoline or quinoxaline derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1990-06-06 EP disclosed