SCHEMBL8398186

SCHEMBL8398186

Fc1ccc2sc(CNc3ccccc3Cl)nc2c1F

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.39
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
TRPM5 Q9NZQ8 4/20 0.36
ROCK2 O75116 1/20 0.35
GRK2 P25098 1/20 0.35
EPHB3 P54753 1/20 0.34
DHFR P00374 1/20 0.34
MAPT P10636 1/20 0.34
IDO1 P14902 1/20 0.34
SCD O00767 2/20 0.33
PIM1 P11309 1/20 0.33
ERBB2 P04626 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
SCHEMBL8398066 0.88 KDM4E (0.41) AKR1B1KDM4EMEN1KMT2ATRPM5
SCHEMBL8399039 0.85 ADRA2C (0.40) AKR1B1KDM4EMEN1KMT2AADRA2B
SCHEMBL8395348 0.85 AKR1B1 (0.39) AKR1B1KDM4EMEN1KMT2ATRPM5
SCHEMBL8398150 0.83 MEN1 (0.46) AKR1B1KDM4EMEN1KMT2AADRA2B
SCHEMBL8397959 0.82 ADRA1D (0.40) AKR1B1KDM4EMEN1KMT2AADRA2B
SCHEMBL8395550 0.81 L3MBTL1 (0.44) AKR1B1KDM4EMEN1KMT2AROCK2
SCHEMBL8398085 0.81 AKR1B1 (0.44) AKR1B1KDM4EMEN1KMT2AMAPT
SCHEMBL8400556 0.81 AKR1B1 (0.45) AKR1B1
SCHEMBL8396300 0.80 MEN1 (0.43) AKR1B1MEN1KMT2ATRPM5ROCK2
SCHEMBL8396281 0.80 KMT2A (0.43) AKR1B1KDM4EMEN1KMT2ATRPM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0647636-B1 BENZOTHIAZOLE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF SENJU PHARMA CO (JP) 1999-06-09 EP disclosed
US-5532257-A ENZYME INHIBITOR SENJU PHARMACEUTICAL CO., LTD (JP) 1996-07-02 US disclosed
EP-0647636-A1 BENZOTHIAZOLE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF Senju Pharmaceutical Co., Ltd. (JP) 1995-04-12 EP disclosed