SCHEMBL6392143

SCHEMBL6392143

O=C(O)NC(F)(F)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.45
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
KCNN4 O15554 3/20 0.42
RAB9A P51151 2/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
CYP1A2 P05177 2/20 0.41
CES1 P23141 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 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
SCHEMBL25840308 0.83 KCNN4 (0.44) PTPN1ALDH1A1TSHRKCNN4RAB9A
SCHEMBL10825012 0.76 KCNN4 (0.48) PTPN1ALDH1A1TSHRKCNN4MAPT
SCHEMBL9159682 0.76 KCNN4 (0.45) PTPN1ALDH1A1TSHRKCNN4MAPT
SCHEMBL8795628 0.75 HDAC3 (0.44) PTPN1ALDH1A1TSHRKCNN4RAB9A
Hydrochloric Acid SCHEMBL11410463 0.74 KCNN4 (0.43) PTPN1ALDH1A1TSHRKCNN4MAPT
SCHEMBL22494164 0.74 ALDH1A1 (0.41) PTPN1ALDH1A1TSHRKCNN4MAPT
SCHEMBL22200647 0.73 TSHR (0.50) PTPN1ALDH1A1TSHRKCNN4RAB9A
SCHEMBL935057 0.73 SSTR4 (0.53) KCNN4MAPTKMT2ACYP1A2HDAC3
SCHEMBL28905042 0.73 HDAC3 (0.50) ALDH1A1KCNN4MAPTKMT2ACYP1A2
SCHEMBL17202376 0.73 KCNN4 (0.42) PTPN1TSHRKCNN4MAPTKMT2A

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-6967196-B1 Sulfonamide compounds and uses thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2005-11-22 US disclosed