SCHEMBL9277488

SCHEMBL9277488

C=Cc1ccc(CSc2nnc(SC)s2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
LMNA P02545 5/20 0.44
HPGD P15428 1/20 0.44
FFAR1 O14842 2/20 0.43
ALDH1A1 P00352 6/20 0.43
MAPT P10636 3/20 0.43
TP53 P04637 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
HTT P42858 1/20 0.42
MAPK1 P28482 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL6393160 0.92 LMNA (0.50) NPC1RAB9ALMNAHPGDFFAR1
SCHEMBL12058190 0.89 NPC1 (0.48) NPC1RAB9ALMNAHPGDFFAR1
SCHEMBL13922023 0.88 NPC1 (0.47) NPC1RAB9ALMNAHPGDFFAR1
SCHEMBL21693343 0.85 RAB9A (0.66) NPC1RAB9ALMNAHPGDALDH1A1
SCHEMBL490778 0.82 NPC1 (0.43) NPC1RAB9ALMNAHPGDFFAR1
SCHEMBL10089270 0.81 NPC1 (0.41) NPC1RAB9ALMNAHPGDFFAR1
SCHEMBL9871889 0.80 ALDH1A1 (0.62) NPC1RAB9ALMNAALDH1A1MAPT
SCHEMBL1104224 0.79 RAB9A (0.42) NPC1RAB9ALMNAHPGDFFAR1
SCHEMBL13328499 0.74 NPC1 (0.44) NPC1RAB9ALMNAHPGDFFAR1
SCHEMBL8019089 0.70 ALDH1A1 (0.50) NPC1RAB9ALMNAALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7316142-A None JP disclosed
US-8377624-B2 Negative-working thermal imageable elements EASTMAN KODAK COMPANY (US) 2013-02-19 US disclosed
US-8377624-B2 Negative-working thermal imageable elements EASTMAN KODAK COMPANY (US) 2013-02-19 US disclosed
US-20100248097-A1 NEGATIVE-WORKING THERMAL IMAGEABLE ELEMENTS QUALEX INC. 2010-09-30 US disclosed
US-20100248097-A1 NEGATIVE-WORKING THERMAL IMAGEABLE ELEMENTS QUALEX INC. 2010-09-30 US disclosed
JP-H07316142-A THIADIAZOLE DERIVATIVE NIPPON OIL & FATS CO LTD 1995-12-05 JP disclosed