SCHEMBL9089977

SCHEMBL9089977

Cc1ccc(-c2ccccc2-c2nccs2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.52
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
PKM P14618 1/20 0.43
RECQL P46063 1/20 0.43
EDNRB P24530 1/20 0.43
EDNRA P25101 1/20 0.43
ADRB2 P07550 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.42
CYP2A6 P11509 1/20 0.42
SYK P43405 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
FBP1 P09467 1/20 0.40
SREBF2 Q12772 1/20 0.39

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
SCHEMBL2175845 0.85 PDPK1 (0.70) PDPK1RAB9AADRB2LOXL2CYP2A6
SCHEMBL5692672 0.83 PDPK1 (0.64) PDPK1RAB9ANPC1ADRB2LOXL2
SCHEMBL28495166 0.83 PDPK1 (0.52) PDPK1RAB9ANPC1EDNRBEDNRA
SCHEMBL28487238 0.83 PDPK1 (0.52) PDPK1RAB9AEDNRBEDNRAADRB2
SCHEMBL8407091 0.83 PDPK1 (0.52) PDPK1RAB9AEDNRBEDNRAADRB2
SCHEMBL558643 0.81 PDPK1 (0.63) PDPK1RAB9ANPC1PKMRECQL
SCHEMBL1951149 0.81 PDPK1 (0.61) PDPK1RAB9ANPC1ADRB2LOXL2
SCHEMBL28355309 0.81 PDPK1 (0.53) PDPK1RAB9AEDNRBEDNRAADRB2
SCHEMBL10870937 0.80 F2RL1 (0.47) PDPK1RAB9ANPC1PKMRECQL
Water SCHEMBL20550178 0.80 ADRB2 (0.62) PDPK1RAB9ANPC1PKMRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5583130-A Benzo-fused lactams promote release of growth hormone MERCK & CO., INC. (US) 1996-12-10 US disclosed
EP-0665748-A4 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE. 1995-08-23 EP disclosed
EP-0665748-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO. INC. (US) 1995-08-09 EP disclosed
WO-1994007486-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1994-04-14 WO disclosed