SCHEMBL27306341

SCHEMBL27306341

CCc1csc(-c2ccc(O)cc2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.57
GAA P10253 4/20 0.57
POLB P06746 3/20 0.57
NPC1 O15118 2/20 0.57
KDM4E B2RXH2 7/20 0.50
MAPT P10636 4/20 0.50
ATM Q13315 2/20 0.50
SREBF2 Q12772 2/20 0.49
ALDH1A1 P00352 4/20 0.49
HPGD P15428 4/20 0.49
LMNA P02545 3/20 0.49
GFER P55789 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 1/20 0.49
USP2 O75604 1/20 0.49
HSP90AA1 P07900 1/20 0.49
HSP90AB1 P08238 1/20 0.49
PKM P14618 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49

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
Bromide SCHEMBL9271730 0.98 RAB9A (0.55) RAB9AGAAPOLBNPC1KDM4E
SCHEMBL17130336 0.84 RAB9A (0.58) RAB9AGAAPOLBNPC1KDM4E
SCHEMBL2706140 0.82 GFER (0.72) RAB9AGAAPOLBNPC1KDM4E
SCHEMBL2056124 0.82 GFER (0.72) RAB9AGAAPOLBNPC1KDM4E
SCHEMBL2225013 0.82 LMNA (0.62) RAB9AGAAPOLBNPC1KDM4E
SCHEMBL153338 0.81 HPGD (0.60) RAB9AGAAPOLBNPC1KDM4E
SCHEMBL6760692 0.81 RAB9A (0.56) RAB9AGAAPOLBNPC1KDM4E
SCHEMBL16603157 0.81 RAB9A (0.53) RAB9AGAAPOLBNPC1KDM4E
Hydrochloric Acid SCHEMBL17261462 0.80 HPGD (0.59) RAB9AGAAPOLBNPC1KDM4E
SCHEMBL533107 0.79 RAB9A (0.53) RAB9AGAAPOLBNPC1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1037268-C Antipicornaviral pyridazinamines JANSSEM PHARMACEUTICA N V (BE) 1998-02-04 CN disclosed