SCHEMBL30455455

SCHEMBL30455455

CC(Nc1cccc2c1[nH]c1ccc(-c3ccc4c(c3)C(=O)N(C)C4)cc12)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SDCBP O00560 1/20 0.41
SDC2 P34741 1/20 0.41
PLA2G7 Q13093 2/20 0.36
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ROCK2 O75116 1/20 0.35
EGFR P00533 5/20 0.35
OPRD1 P41143 1/20 0.35
CTSC P53634 2/20 0.35
ALK Q9UM73 3/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
LIPG Q9Y5X9 1/20 0.33
CTSK P43235 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PARP14 Q460N5 1/20 0.33

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
SCHEMBL25249612 1.00 SDCBP (0.41) SDCBPSDC2PLA2G7HTTSMN1; SMN2
SCHEMBL25246086 0.93 OPRD1 (0.41) SDCBPSDC2PLA2G7HTTSMN1; SMN2
SCHEMBL30455408 0.93 OPRD1 (0.41) SDCBPSDC2PLA2G7HTTSMN1; SMN2
SCHEMBL30455490 0.85 CLK4 (0.51) PLA2G7EGFRALKMEN1KMT2A
SCHEMBL25246903 0.85 CLK4 (0.51) PLA2G7EGFRALKMEN1KMT2A
SCHEMBL25245298 0.81 PARP10 (0.42) EGFR
SCHEMBL30455485 0.81 PARP10 (0.42) EGFR
SCHEMBL25253418 0.81 TARS1 (0.42) PLA2G7EGFRMEN1KMT2A
SCHEMBL30455449 0.81 TARS1 (0.42) PLA2G7EGFRMEN1KMT2A
SCHEMBL25784822 0.81 SDCBP (0.38) SDCBPSDC2HTTROCK2EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023121238-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVE COMPOUND AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER COMPRISING SAME (주)메디픽 2023-06-29 WO claimed
WO-2023121238-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVE COMPOUND AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER COMPRISING SAME (주)메디픽 2023-06-29 WO disclosed