SCHEMBL8397939

SCHEMBL8397939

CSc1ccccc1NCc1nc2ccc(F)c(F)c2s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 7/20 0.40
ADRA1A P35348 7/20 0.40
ADRA1B P35368 7/20 0.40
ADRA2A P08913 5/20 0.38
ADRA2B P18089 5/20 0.38
ADRA2C P18825 5/20 0.38
MAPT P10636 6/20 0.36
KDM4E B2RXH2 6/20 0.36
ALDH1A1 P00352 5/20 0.36
HPGD P15428 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
KMT2A Q03164 4/20 0.34
GAA P10253 2/20 0.34
ALOX15 P16050 2/20 0.34
HSD17B10 Q99714 2/20 0.34
POLB P06746 1/20 0.34
TSHR P16473 1/20 0.33
NAAA Q02083 1/20 0.32

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
SCHEMBL8399168 0.86 L3MBTL1 (0.38) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL8398164 0.85 ADRA2C (0.40) ADRA2BADRA2CMAPTALDH1A1SMN1; SMN2
SCHEMBL8399083 0.84 GSK3B (0.34) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL8399102 0.82 MEN1 (0.36) ADRA2BADRA2CMAPTKDM4EHPGD
SCHEMBL8395190 0.82 L3MBTL1 (0.44) MAPTALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL8399286 0.82 AKR1B1 (0.39) ADRA1DADRA1AADRA1BADRA2AADRA2B
SCHEMBL8397959 0.81 ADRA1D (0.40) ADRA1DADRA1AADRA1BADRA2AADRA2B
SCHEMBL8395818 0.80 AKR1B1 (0.40) ADRA1DADRA1AADRA1BAKR1B1
SCHEMBL8399066 0.79 CYP1A2 (0.35) MAPTKDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL8397947 0.77 PDE4A (0.31)

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