SCHEMBL30558482

SCHEMBL30558482

COc1cc2c(cc1F)C(CN)CCC2

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 2/20 0.50
HTR6 P50406 8/20 0.46
ABCB1 P08183 1/20 0.44
HTR2A P28223 2/20 0.43
HTR2C P28335 2/20 0.43
HTR2B P41595 2/20 0.43
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
DRD5 P21918 1/20 0.40

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
SCHEMBL17361727 1.00 KDM4C (0.50) KDM4CHTR6ABCB1HTR2AHTR2C
SCHEMBL17361970 0.84 KDM4C (0.49) KDM4CHTR6ABCB1ADRA2AADRA2B
SCHEMBL17221872 0.79 ADRA2A (0.57) HTR2AADRA2AADRA2BADRA2CADRA1D
SCHEMBL4685354 0.78 NQO2 (0.50) KDM4CABCB1HTR2AHTR2CHTR2B
SCHEMBL17361429 0.78 KDM4C (0.58) KDM4CHTR6
SCHEMBL30558394 0.78 KDM4C (0.58) KDM4CHTR6
SCHEMBL28447485 0.75 DRD5 (0.45) KDM4CDRD5
SCHEMBL8011020 0.75 DRD5 (0.46) KDM4CADRA1ADRD5
SCHEMBL7105876 0.75 DRD5 (0.46) KDM4CADRA1ADRD5
Hydrochloric Acid SCHEMBL8074492 0.74 DRD5 (0.48) KDM4CHTR2ADRD5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111909083-B Inhibitors of histone demethylase 赛尔基因昆蒂赛尔研究公司 2023-08-15 CN disclosed