SCHEMBL8399286

SCHEMBL8399286

CSc1ccccc1NCc1nc2cc(F)cc(F)c2s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 6/20 0.39
ADRA1D P25100 6/20 0.39
ADRA1A P35348 6/20 0.39
ADRA1B P35368 6/20 0.39
MAPT P10636 6/20 0.38
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 4/20 0.38
HPGD P15428 3/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
ADRA2A P08913 4/20 0.38
ADRA2B P18089 4/20 0.38
ADRA2C P18825 4/20 0.38
KMT2A Q03164 4/20 0.36
GAA P10253 2/20 0.36
ALOX15 P16050 2/20 0.36
HSD17B10 Q99714 2/20 0.36
POLB P06746 1/20 0.36
MEN1 O00255 2/20 0.35

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
SCHEMBL8395524 0.86 AKR1B1 (0.43) AKR1B1MAPTKDM4EALDH1A1LMNA
SCHEMBL8396268 0.85 AKR1B1 (0.41) AKR1B1MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL8396103 0.84 AKR1B1 (0.41) AKR1B1MAPTKDM4EALDH1A1POLB
SCHEMBL8395800 0.83 AKR1B1 (0.41) AKR1B1LMNASMN1; SMN2ADRA2BADRA2C
SCHEMBL8399103 0.82 L3MBTL1 (0.43) AKR1B1MAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL8397939 0.82 ADRA1D (0.40) AKR1B1ADRA1DADRA1AADRA1BMAPT
SCHEMBL8395818 0.81 AKR1B1 (0.40) AKR1B1ADRA1DADRA1AADRA1B
SCHEMBL8399351 0.80 AKR1B1 (0.46) AKR1B1MAPTSMN1; SMN2RAB9A
SCHEMBL8399294 0.77 AKR1B1 (0.39) AKR1B1MAPTKDM4EALDH1A1
SCHEMBL8395489 0.76 AKR1B1 (0.39) AKR1B1MAPTKDM4EALDH1A1SMN1; SMN2

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