SCHEMBL8396268

SCHEMBL8396268

Cc1ccccc1NCc1nc2cc(F)cc(F)c2s1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 6/20 0.41
ADRA2C P18825 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
PKM P14618 1/20 0.40
MAPT P10636 2/20 0.37
HTT P42858 2/20 0.37
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ADRA2B P18089 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 2/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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 0.88 AKR1B1 (0.43) AKR1B1NPC1RAB9AMAPTHTT
SCHEMBL8396103 0.86 AKR1B1 (0.41) AKR1B1NPC1RAB9AMAPTHTT
SCHEMBL8399286 0.85 AKR1B1 (0.39) AKR1B1ADRA2CRAB9AMAPTALDH1A1
SCHEMBL8395800 0.85 AKR1B1 (0.41) AKR1B1ADRA2CMEN1KMT2AADRA2B
SCHEMBL8399103 0.84 L3MBTL1 (0.43) AKR1B1NPC1RAB9APKMMAPT
SCHEMBL8399351 0.82 AKR1B1 (0.46) AKR1B1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL8399294 0.81 AKR1B1 (0.39) AKR1B1MAPTALDH1A1
SCHEMBL8398164 0.81 ADRA2C (0.40) AKR1B1ADRA2CNPC1RAB9APKM
SCHEMBL8399258 0.80 AKR1B1 (0.45) AKR1B1
SCHEMBL8399262 0.80 AKR1B1 (0.40) AKR1B1NPC1RAB9AMAPTHTT

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