SCHEMBL30133393

SCHEMBL30133393

Oc1cc2c(Cl)cccc2c(Cl)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.46
CYP2A6 P11509 3/20 0.46
NR4A2 P43354 2/20 0.38
DAO P14920 1/20 0.36
TSHR P16473 1/20 0.35
KDM4E B2RXH2 2/20 0.35
LMNA P02545 2/20 0.35
HSP90AA1 P07900 2/20 0.35
MAPT P10636 2/20 0.35
BRD4 O60885 1/20 0.35
METAP2 P50579 1/20 0.35
METAP1 P53582 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
ALOX15B O15296 1/20 0.34
NR1I2 O75469 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
HTR1A P08908 1/20 0.34
ALOX5 P09917 1/20 0.34

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
SCHEMBL13728798 1.00 CYP1A2 (0.46) CYP1A2CYP2A6NR4A2DAOTSHR
SCHEMBL13830337 0.81 CYP1A2 (0.43) CYP1A2CYP2A6NR4A2DAOTSHR
SCHEMBL11792894 0.79 CYP1A2 (0.50) CYP1A2CYP2A6NR4A2TSHRLMNA
SCHEMBL30676607 0.76 NR4A2 (0.51) CYP1A2CYP2A6NR4A2KDM4ELMNA
SCHEMBL29122464 0.76 NR4A2 (0.51) CYP1A2CYP2A6NR4A2KDM4ELMNA
SCHEMBL7882102 0.75 TRPM4 (0.45) CYP1A2CYP2A6KDM4ELMNAMAPT
SCHEMBL2749744 0.71 CYP1A2 (0.43) CYP1A2CYP2A6NR4A2DAOTSHR
SCHEMBL30601891 0.71 NR4A2 (0.46) CYP1A2CYP2A6NR4A2TSHRKDM4E
SCHEMBL11403030 0.71 NR4A2 (0.46) CYP1A2CYP2A6NR4A2TSHRKDM4E
SCHEMBL13731201 0.68 MAPT (0.40) CYP1A2CYP2A6NR4A2LMNAMAPT

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
CN-115605466-B Substituted oxoisoindoline compounds for the treatment of cancer 百时美施贵宝公司 2024-11-01 CN disclosed
EP-4126843-A1 SUBSTITUTED OXOISOINDOLINE COMPOUNDS FOR THE TREATMENT OF CANCER Bristol-Myers Squibb Company (US) 2023-02-08 EP disclosed
CN-115605466-A Substituted oxoisoindoline compounds for the treatment of cancer 百时美施贵宝公司(US) 2023-01-13 CN disclosed