SCHEMBL30148729

SCHEMBL30148729

CC(=O)c1cccc(C#N)c1C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.42
ALDH1A1 P00352 5/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 2/20 0.41
NOTUM Q6P988 1/20 0.41
GALR3 O60755 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTT P42858 1/20 0.40
POLB P06746 3/20 0.40
RXFP1 Q9HBX9 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL9522265 1.00 MAPT (0.44) MAPTTSHRALDH1A1SMN1; SMN2KDM4E
SCHEMBL1352722 0.85 NOTUM (0.48) TSHRALDH1A1KDM4ENOTUMRAB9A
SCHEMBL30675636 0.85 NOTUM (0.48) TSHRALDH1A1KDM4ENOTUMRAB9A
SCHEMBL16957794 0.84 TSHR (0.45) MAPTTSHRALDH1A1KDM4ENOTUM
SCHEMBL11446278 0.83 TSHR (0.41) MAPTTSHRALDH1A1SMN1; SMN2KDM4E
SCHEMBL13254942 0.83 PARP1 (0.45) MAPTTSHRALDH1A1KDM4ERAB9A
SCHEMBL180961 0.82 ALDH1A1 (0.48) MAPTTSHRALDH1A1SMN1; SMN2KDM4E
SCHEMBL11113016 0.81 CXCR2 (0.44) MAPTTSHRALDH1A1SMN1; SMN2KDM4E
SCHEMBL646271 0.80 ALDH1A1 (0.50) TSHRALDH1A1SMN1; SMN2KDM4EPOLB
SCHEMBL30506574 0.80 ALDH1A1 (0.50) TSHRALDH1A1SMN1; SMN2KDM4EPOLB

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-2025137507-A1 SOS1 INHIBITORS AND USES THEREOF REGOR PHARMACEUTICALS, INC. (US) 2025-06-26 WO disclosed
WO-2022268209-A1 DERIVATIVE HAVING PYRIMIDINE-FUSED CYCLIC STRUCTURE, AND USE THEREOF 四川汇宇制药股份有限公司 2022-12-29 WO disclosed