SCHEMBL9800247

SCHEMBL9800247

CN1C=CCC(c2ccccc2)C1=O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
KMT2A Q03164 1/20 0.50
BRD4 O60885 4/20 0.39
LMNA P02545 1/20 0.37
CCL2 P13500 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
SRD5A1 P18405 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
ALDH1A1 P00352 3/20 0.35
NPSR1 Q6W5P4 1/20 0.35
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
CFTR P13569 1/20 0.35
GOPC Q9HD26 1/20 0.35
ATM Q13315 1/20 0.35
OPRK1 P41145 2/20 0.34

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
SCHEMBL27262808 0.69 TSHR (0.56) TSHRKMT2ABRD4LMNAADORA3
SCHEMBL10938628 0.69 MAPT (0.43) TSHRKMT2ABRD4LMNADDB1
Phensuximide SCHEMBL35334 0.67 KMT2A (1.00) TSHRKMT2ABRD4SRD5A1ALDH1A1
Phensuximide SCHEMBL35333 0.67 KMT2A (1.00) TSHRKMT2ABRD4SRD5A1ALDH1A1
SCHEMBL16203621 0.67 TSHR (0.53) TSHRKMT2ABRD4SRD5A1DDB1
SCHEMBL15203830 0.67 TSHR (0.53) TSHRKMT2ABRD4SRD5A1DDB1
SCHEMBL11618119 0.66 SLC6A2 (0.53) TSHRKMT2ABRD4LMNASLC6A2
SCHEMBL10475181 0.66 CFTR (0.47) TSHRKMT2ALMNAALDH1A1DDB1
SCHEMBL11772809 0.66 TSHR (0.51) TSHRKMT2ABRD4LMNAADORA3
SCHEMBL28760654 0.66 TSHR (0.51) TSHRKMT2ABRD4LMNAADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0417143-A1 CYCLIC LACTAMS FOR CHOLESTEROL AND ATHEROSCLEROSIS CONTROL THE UPJOHN COMPANY (US) 1991-03-20 EP claimed
WO-1989011856-A2 CYCLIC LACTAMS FOR CHOLESTEROL AND ATHEROSCLEROSIS CONTROL THE UPJOHN COMPANY (US) 1989-12-14 WO claimed
EP-0417143-A1 CYCLIC LACTAMS FOR CHOLESTEROL AND ATHEROSCLEROSIS CONTROL THE UPJOHN COMPANY (US) 1991-03-20 EP disclosed
WO-1989011856-A2 CYCLIC LACTAMS FOR CHOLESTEROL AND ATHEROSCLEROSIS CONTROL THE UPJOHN COMPANY (US) 1989-12-14 WO disclosed