SCHEMBL29958555

SCHEMBL29958555

OC(c1ccccc1)N1C=CC=CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
MAPK1 P28482 2/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 3/20 0.32
HTT P42858 1/20 0.32
TSHR P16473 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
CYP2D6 P10635 2/20 0.31
KDM4E B2RXH2 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2C P18825 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
KCNA5 P22460 1/20 0.31
CYP2C19 P33261 1/20 0.31
KCNH2 Q12809 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
SCHEMBL4469191 0.81 CRHBP (0.46) CRHBPCRHR2LMNAHTTCYP2D6
SCHEMBL2712357 0.80 ADRA2C (0.42) CRHBPCRHR2ALDH1A1LMNATSHR
Bromide SCHEMBL30297450 0.79 CRHBP (0.44) CRHBPCRHR2LMNAHTTCYP2D6
SCHEMBL29029226 0.74 CYP17A1 (0.34) CRHBPCRHR2
SCHEMBL28307917 0.74 CYP17A1 (0.34) CRHBPCRHR2
SCHEMBL30776869 0.72 KMT2A (0.52) CRHBPCRHR2MAPK1ALDH1A1LMNA
SCHEMBL5962091 0.67
SCHEMBL812049 0.63 LMNA (0.44) MAPK1ALDH1A1LMNATSHRCYP2D6
SCHEMBL11830842 0.63 LMNA (0.36) MAPK1ALDH1A1LMNAHTTTSHR
SCHEMBL10819002 0.63

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4308122-A1 HETEROCYCLIC DERIVATIVES AS JANUS KINASE INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2024-01-24 EP disclosed
WO-2022194779-A1 HETEROCYCLIC DERIVATIVES AS JANUS KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2022-09-22 WO disclosed