SCHEMBL30293249

SCHEMBL30293249

O=C1Nc2ccccc2CC12CC2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OTUD7B Q6GQQ9 8/20 0.59
AHR P35869 1/20 0.48
PDK2 Q15119 1/20 0.48
NPC1 O15118 2/20 0.47
MAPK13 O15264 1/20 0.47
MAPK12 P53778 1/20 0.47
MAPK11 Q15759 1/20 0.47
MAPK14 Q16539 1/20 0.47
MAPT P10636 2/20 0.44
BRD4 O60885 2/20 0.43
CREBBP Q92793 2/20 0.43
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
HSP90AA1 P07900 1/20 0.39
THRB P10828 1/20 0.39
HK1 P19367 1/20 0.39
MAPK1 P28482 1/20 0.39
RECQL P46063 1/20 0.39
RAB9A P51151 1/20 0.39
GALK1 P51570 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
SCHEMBL14941425 1.00 OTUD7B (0.59) OTUD7BAHRPDK2NPC1MAPK13
Hydrochloric Acid SCHEMBL30293248 0.98 OTUD7B (0.57) OTUD7BAHRPDK2NPC1MAPK13
SCHEMBL14941419 0.92 OTUD7B (0.56) OTUD7BAHRPDK2NPC1MAPK13
SCHEMBL24204269 0.89 OTUD7B (0.54) OTUD7BAHRPDK2NPC1MAPK13
SCHEMBL2604301 0.89 OTUD7B (0.54) OTUD7BAHRPDK2NPC1MAPK13
SCHEMBL31415640 0.89 OTUD7B (0.54) OTUD7BAHRPDK2NPC1MAPK13
Hydrochloric Acid SCHEMBL3185718 0.88 OTUD7B (0.52) OTUD7BAHRPDK2NPC1MAPK13
SCHEMBL29561497 0.83 OTUD7B (0.51) OTUD7BAHRPDK2NPC1MAPK13
SCHEMBL20721863 0.83 OTUD7B (0.51) OTUD7BAHRPDK2NPC1MAPK13
SCHEMBL13368666 0.81 OTUD7B (0.56) OTUD7BBRD4CREBBP

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
WO-2025092818-A1 PYRIDINE DERIVATIVE AND USE THEREOF IN MEDICINE 康百达(四川)生物医药科技有限公司 2025-05-08 WO disclosed
CN-119462695-A Pyridine derivative and application thereof 康百达(四川)生物医药科技有限公司 2025-02-18 CN disclosed
CN-109988093-B Amine compound for inhibiting SSAO/VAP-1 and application thereof in medicine 广东东阳光药业有限公司 2023-04-07 CN disclosed