SCHEMBL30173198

SCHEMBL30173198

Brc1ccc(Br)c2c1CC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL1RN P18510 2/20 0.43
ERAP2 Q6P179 2/20 0.43
ERAP1 Q9NZ08 2/20 0.43
KDM4E B2RXH2 1/20 0.41
HTR2C P28335 3/20 0.34
HTR2A P28223 2/20 0.34
HTR2B P41595 2/20 0.34
PARP10 Q53GL7 1/20 0.33
PARP11 Q9NR21 1/20 0.33
CYP1A2 P05177 1/20 0.33
ANPEP P15144 2/20 0.32
CYP2A6 P11509 1/20 0.31
PIM1 P11309 1/20 0.31
CSNK1A1 P48729 1/20 0.31
CDK5 Q00535 1/20 0.31
ROCK1 Q13464 1/20 0.31
DYRK1A Q13627 1/20 0.31
LRRK2 Q5S007 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
DYRK1B Q9Y463 1/20 0.31

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
SCHEMBL13249026 0.86 HTR2C (0.40) IL1RNERAP2ERAP1KDM4EHTR2C
SCHEMBL30509287 0.86 HTR2C (0.40) IL1RNERAP2ERAP1KDM4EHTR2C
SCHEMBL31394385 0.83 IL1RN (0.35) IL1RNERAP2ERAP1KDM4E
SCHEMBL29185490 0.79 MAOB (0.34) IL1RNERAP2ERAP1KDM4EHTR2C
SCHEMBL29710963 0.77 IL1RN (0.36) IL1RNERAP2ERAP1KDM4E
SCHEMBL29711059 0.77 IL1RN (0.36) IL1RNERAP2ERAP1KDM4ECYP2A6
SCHEMBL31394463 0.77 NOTUM (0.33) IL1RNERAP2ERAP1KDM4EHTR2C
SCHEMBL28753978 0.77 KDM4E (0.35) IL1RNERAP2ERAP1KDM4EHTR2C
SCHEMBL13249030 0.74 DRD4 (0.35) IL1RNERAP2ERAP1KDM4EHTR2C
SCHEMBL24578275 0.73 PARP1 (0.38) IL1RNERAP2ERAP1KDM4EHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2026098560-A2 BENZENE-CONTAINING POLYCYCLIC DERIVATIVE MODULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF 上海翰森生物医药科技有限公司 2026-05-15 WO disclosed
CN-122036626-A Pyrimidine-2 (1H) -ketone derivative, pharmaceutical composition and application thereof 上海青润医药科技有限公司 2026-05-15 CN disclosed
CN-115557947-B Pyrazolo [4,3-c ] pyridine derivative and application thereof in medicine 成都百裕制药股份有限公司 2024-04-02 CN disclosed
CN-114634512-B Compounds as inhibitors of bruton's tyrosine kinase, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2023-11-14 CN disclosed
CN-115557947-A Pyrazolo [4,3-c ] pyridine derivative and application thereof in medicine 成都百裕制药股份有限公司 2023-01-03 CN disclosed