SCHEMBL10695861

SCHEMBL10695861

Cc1cc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2OC(F)(F)F)n1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
TSHR P16473 1/20 0.48
ALPL P05186 1/20 0.47
SLC40A1 Q9NP59 1/20 0.43
IDH1 O75874 1/20 0.43
GAA P10253 2/20 0.43
MAPT P10636 1/20 0.42
LMNA P02545 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 1/20 0.42
KDM4E B2RXH2 1/20 0.41
THRB P10828 1/20 0.41
SLC22A12 Q96S37 1/20 0.41
ALOX15 P16050 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
SCHEMBL10686494 0.92 GAA (0.53) ALDH1A1TSHRALPLIDH1GAA
SCHEMBL10913796 0.91 ALDH1A1 (0.46) ALDH1A1TSHRGAAMAPTLMNA
SCHEMBL11004041 0.90 TSHR (0.46) ALDH1A1TSHRGAAMAPTLMNA
SCHEMBL10743094 0.89 GAA (0.41) ALDH1A1TSHRALPLSLC40A1IDH1
SCHEMBL11115042 0.87 ALDH1A1 (0.43) ALDH1A1TSHRGAAMAPTLMNA
SCHEMBL10687516 0.87 GAA (0.60) ALDH1A1ALPLSLC40A1GAAMAPT
SCHEMBL10388680 0.86 THRB (0.52) TSHRGAAMAPTLMNATHRB
SCHEMBL11003560 0.86 ALPL (0.52) ALDH1A1TSHRALPLIDH1GAA
SCHEMBL11113148 0.86 ALDH1A1 (0.48) ALDH1A1TSHRMAPTLMNANPC1
SCHEMBL10695682 0.85 MAPT (0.46) ALDH1A1ALPLSLC40A1IDH1GAA

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-4780126-A HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1988-10-25 US disclosed