SCHEMBL30397985

SCHEMBL30397985

CS(=O)(=O)c1ncc(C(F)(F)F)c(Oc2ccccc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SDHB P21912 2/20 0.46
MAPT P10636 3/20 0.43
LMNA P02545 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
KDM4E B2RXH2 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 2/20 0.40
MEN1 O00255 1/20 0.40
S1PR4 O95977 1/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
S1PR1 P21453 1/20 0.40
MAPK1 P28482 1/20 0.40
STAT3 P40763 1/20 0.40
STAT1 P42224 1/20 0.40
HTT P42858 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
SCHEMBL25239800 1.00 SDHB (0.46) SDHBMAPTLMNANPSR1KDM4E
SCHEMBL25243394 0.80 KDR (0.44) LMNANPSR1KDM4ETP53HPGD
SCHEMBL31726565 0.80 KDR (0.44) LMNANPSR1KDM4ETP53HPGD
SCHEMBL25772948 0.78 ULK1 (0.62) SDHBNR1H2KDR
SCHEMBL6877899 0.77 MEN1 (0.60) MAPTLMNANPSR1CYP1A2CYP3A4
SCHEMBL14643154 0.76 SDHB (0.49) SDHBLMNANPSR1RAB9AMEN1
SCHEMBL25204693 0.75 MAPT (0.46) MAPTNPSR1KDM4ECYP1A2CYP2C9
SCHEMBL25527110 0.75 EGFR (0.47) MAPTRAB9ACDK1CDK2KDR
SCHEMBL25205981 0.74 CDK2 (0.46) MAPTNPSR1TP53MAPK1HTT
SCHEMBL16671203 0.73 MEN1 (0.46) MAPTLMNACYP1A2CYP3A4CYP2C9

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-2023091726-A1 INHIBITORS OF CYCLIN‑DEPENDENT KINASE 12 (CDK12) SYROS PHARMACEUTICALS, INC. (US) 2023-05-25 WO disclosed