SCHEMBL27362945

SCHEMBL27362945

Cc1cccc(C)c1C(=O)NCCN1CCOCC1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.66
ALDH1A1 P00352 3/20 0.62
TSHR P16473 1/20 0.61
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
CD274 Q9NZQ7 2/20 0.60
HPGD P15428 1/20 0.60
MAPK1 P28482 1/20 0.59
HTR1A P08908 1/20 0.59
MAOA P21397 1/20 0.59
MAOB P27338 1/20 0.59
KCNH2 Q12809 1/20 0.59
KDM4E B2RXH2 1/20 0.58

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
SCHEMBL45567 0.88 CYP2C9 (0.57) POLBALDH1A1TSHRCYP2C9CYP2C19
SCHEMBL28602004 0.87 POLB (0.60) POLBCYP2C9CYP2C19MAPK1KDM4E
SCHEMBL13164059 0.86 MEN1 (0.66) POLBALDH1A1CD274HPGDMAPK1
SCHEMBL280010 0.84 P2RX7 (0.59) POLBALDH1A1TSHRCD274HTR1A
SCHEMBL12316416 0.83 MEN1 (0.50) POLBALDH1A1TSHRKCNH2
SCHEMBL12316415 0.83 POLB (0.47) POLBALDH1A1TSHRCYP2C9CYP2C19
SCHEMBL279958 0.81 CYP2C19 (0.72) POLBALDH1A1CYP2C9CYP2C19CD274
SCHEMBL8099123 0.81 MAPK1 (0.54) POLBALDH1A1TSHRCYP2C9CYP2C19
SCHEMBL280240 0.80 MEN1 (0.76) POLBALDH1A1TSHRCYP2C19CD274
SCHEMBL25040938 0.80 KDM4E (0.69) POLBALDH1A1CYP2C9CYP2C19KDM4E

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
WO-2024026483-A2 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. (US) 2024-02-01 WO disclosed