SCHEMBL17580571

SCHEMBL17580571

CC(C)Oc1cc(Cl)ccc1NC=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 2/20 0.41
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
HTR6 P50406 1/20 0.39
LPAR1 Q92633 4/20 0.37
RORC P51449 1/20 0.37
HPGD P15428 2/20 0.37
CYP19A1 P11511 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MDM2 Q00987 2/20 0.36
TSHR P16473 2/20 0.36
ACLY P53396 1/20 0.36
HTR2B P41595 1/20 0.36
HTT P42858 1/20 0.35
TOP2A P11388 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL10288032 0.87 IRAK4 (0.44) P2RX3HTR2AHTR2CDRD2DRD3
SCHEMBL15508018 0.84 KMT2A (0.39) TSHRHTTSMN1; SMN2MEN1ALDH1A1
SCHEMBL7530694 0.81 HTT (0.50) LPAR1HPGDKDM4ETSHRHTT
SCHEMBL17580433 0.79 HTT (0.47) LPAR1HPGDHTTSMN1; SMN2ALDH1A1
SCHEMBL12165535 0.78 IRAK4 (0.45) KDM4ECYP2C19SMN1; SMN2ALDH1A1IRAK4
SCHEMBL22158983 0.76 RORC (0.56) P2RX3LPAR1RORCHPGDKDM4E
SCHEMBL543548 0.76 TSHR (0.56) KDM4ECYP2C9CYP2C19TSHRHTT
SCHEMBL25659179 0.75 MAOB (0.46) P2RX3RORCHPGDKDM4ECYP2C9
SCHEMBL23190912 0.75 CA12 (0.48) HTTTOP2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL15283283 0.72 EGFR (0.42) HTR2AHTR2CDRD2DRD3HTR6

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
EP-2834248-B1 NOVEL THIENOPYRIMIDINE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF AND THERAPEUTIC USES THEREOF SANOFI SA (FR) 2016-03-16 EP disclosed