SCHEMBL30104099

SCHEMBL30104099

CC(C)(C)N(Sc1nc2ccccc2s1)Sc1nc2ccccc2s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
FBP1 P09467 3/20 0.58
HSD17B10 Q99714 3/20 0.58
ADRA2A P08913 1/20 0.58
ADORA3 P0DMS8 1/20 0.58
DRD2 P14416 1/20 0.58
HPGD P15428 1/20 0.58
ALOX15 P16050 1/20 0.58
ADRA2B P18089 1/20 0.58
ADRA2C P18825 1/20 0.58
DRD1 P21728 1/20 0.58
MC5R P33032 1/20 0.58
OPRM1 P35372 1/20 0.58
DRD3 P35462 1/20 0.58
OPRK1 P41145 1/20 0.58
CCR2 P41597 1/20 0.58
HTR6 P50406 1/20 0.58
SLC6A3 Q01959 1/20 0.58
PDK1 Q15118 1/20 0.58
TDP1 Q9NUW8 1/20 0.58

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
SCHEMBL5075489 1.00 ALDH1A1 (0.58) ALDH1A1FBP1HSD17B10ADRA2AADORA3
SCHEMBL11704481 0.87 ALDH1A1 (0.58) ALDH1A1FBP1HSD17B10ADRA2AADORA3
SCHEMBL1193937 0.85 FBP1 (0.56) ALDH1A1FBP1HSD17B10ADRA2AADORA3
SCHEMBL9702704 0.84 FBP1 (0.54) ALDH1A1FBP1HSD17B10ADRA2AADORA3
SCHEMBL8586636 0.84 ALDH1A1 (0.51) ALDH1A1FBP1HSD17B10ADRA2AADORA3
SCHEMBL27944586 0.83 FBP1 (0.53) ALDH1A1FBP1HSD17B10ADRA2AADORA3
SCHEMBL1193757 0.81 FBP1 (0.54) ALDH1A1FBP1HSD17B10ADRA2AADORA3
SCHEMBL1194508 0.81 ALDH1A1 (0.51) ALDH1A1FBP1HSD17B10ADRA2AADORA3
SCHEMBL29494847 0.81 ALDH1A1 (0.63) ALDH1A1FBP1HSD17B10ADRA2AADORA3
SCHEMBL8662853 0.81 ALDH1A1 (0.63) ALDH1A1FBP1HSD17B10ADRA2AADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4097176-A1 FLAME RETARDANT CHEMICAL COMPOSITIONS Nordtreat Finland OY (FI) 2022-12-07 EP claimed
EP-4408915-A1 ELASTOMER PRODUCT Continental Reifen Deutschland GmbH (DE) 2024-08-07 EP disclosed
EP-4399103-A1 RUBBERIZED METALLIC STRENGTH MEMBER AND PNEUMATIC VEHICLE TIRE Continental Reifen Deutschland GmbH (DE) 2024-07-17 EP disclosed
CN-118139919-A Elastomeric products 大陆轮胎德国有限公司 2024-06-04 CN disclosed
CN-117940506-A Sulfur-crosslinkable rubber coating mixture and pneumatic vehicle tire 大陆轮胎德国有限公司 2024-04-26 CN disclosed
CN-117916103-A Rubberized metal reinforcing member and pneumatic vehicle tire 大陆轮胎德国有限公司 2024-04-19 CN disclosed
WO-2023051878-A1 ELASTOMER PRODUCT CONTINENTAL REIFEN DEUTSCHLAND GMBH (DE) 2023-04-06 WO disclosed
WO-2023030591-A1 RUBBERIZED METALLIC STRENGTH MEMBER AND PNEUMATIC VEHICLE TIRE CONTINENTAL REIFEN DEUTSCHLAND GMBH (DE) 2023-03-09 WO disclosed
EP-4144787-A1 SULPHUR-CROSSLINKABLE RUBBER COMPOSITION AND PNEUMATIC VEHICLE TYRE Continental Reifen Deutschland GmbH (DE) 2023-03-08 EP disclosed
EP-4097176-A1 FLAME RETARDANT CHEMICAL COMPOSITIONS Nordtreat Finland OY (FI) 2022-12-07 EP disclosed