SCHEMBL31533993

SCHEMBL31533993

CCOC(=O)c1ccc(C)cc1[C@@H]1CN(Cc2ccccc2)C[C@H]1C(C)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.45
LMNA P02545 3/20 0.41
MAPK1 P28482 1/20 0.41
PRMT1 Q99873 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
USP30 Q70CQ3 1/20 0.40
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
ADORA1 P30542 1/20 0.39
KMT2A Q03164 1/20 0.39
RORC P51449 1/20 0.39
ALDH1A1 P00352 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR5 Q9H228 1/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
TRPC5 Q9UL62 1/20 0.39
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL31533963 0.86 TSHR (0.47) TSHRLMNAMAPK1PRMT1SMN1; SMN2
SCHEMBL4484948 0.82 TSHR (0.46) TSHRLMNAMAPK1PRMT1USP30
SCHEMBL30728789 0.82 PRMT1 (0.49) TSHRLMNAMAPK1PRMT1SMN1; SMN2
SCHEMBL31533989 0.82 PRMT1 (0.49) TSHRLMNAMAPK1PRMT1SMN1; SMN2
SCHEMBL30728753 0.82 PRMT1 (0.49) TSHRLMNAMAPK1PRMT1SMN1; SMN2
SCHEMBL31533977 0.80 TSHR (0.50) TSHRPRMT1ALDH1A1DRD2DRD4
SCHEMBL10054589 0.75 USP30 (0.58) LMNAMAPK1USP30ALDH1A1S1PR1
SCHEMBL8783153 0.74 TSHR (0.49) TSHRLMNASMN1; SMN2MEN1KMT2A
SCHEMBL30728803 0.74 PRMT1 (0.50) TSHRLMNAMAPK1PRMT1SMN1; SMN2
SCHEMBL30728773 0.74 PRMT1 (0.50) TSHRLMNAMAPK1PRMT1SMN1; SMN2

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-119585248-A Heteroaryl derivatives as DDR inhibitors 奇斯药制品公司 2025-03-07 CN disclosed