SCHEMBL8399039

SCHEMBL8399039

Cc1ccccc1NCc1nc2c(F)c(F)ccc2s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 3/20 0.40
AKR1B1 P15121 1/20 0.39
HTT P42858 3/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
PKM P14618 1/20 0.38
LMNA P02545 3/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 2/20 0.38
POLB P06746 1/20 0.38
ALOX12 P18054 1/20 0.38
MPI P34949 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.37
ADRA2B P18089 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
SCD O00767 2/20 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
SCHEMBL8398066 0.88 KDM4E (0.41) AKR1B1HTTMAPTNPC1RAB9A
SCHEMBL8397959 0.85 ADRA1D (0.40) ADRA2CAKR1B1MAPTLMNAALDH1A1
SCHEMBL8395348 0.85 AKR1B1 (0.39) AKR1B1HTTMAPTNPC1RAB9A
SCHEMBL8398186 0.85 AKR1B1 (0.39) ADRA2CAKR1B1MAPTKMT2AKDM4E
SCHEMBL8395550 0.84 L3MBTL1 (0.44) AKR1B1HTTMAPTNPC1RAB9A
SCHEMBL8398085 0.81 AKR1B1 (0.44) AKR1B1MAPTNPC1RAB9ALMNA
SCHEMBL8397967 0.81 AKR1B1 (0.34) AKR1B1
SCHEMBL8399258 0.81 AKR1B1 (0.45) AKR1B1
SCHEMBL8396286 0.80 KMT2A (0.43) ADRA2CAKR1B1HTTMAPTNPC1
SCHEMBL8398164 0.80 ADRA2C (0.40) ADRA2CAKR1B1HTTMAPTNPC1

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