SCHEMBL30954983

SCHEMBL30954983

Cc1cn(-c2c(F)cc([N+](=O)[O-])cc2F)c(Br)n1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 1/20 0.36
TSHR P16473 1/20 0.36
MAPT P10636 5/20 0.33
LMNA P02545 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CHEK1 O14757 1/20 0.33
DAPK3 O43293 1/20 0.33
GRK5 P34947 1/20 0.33
LIMK1 P53667 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HTT P42858 2/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NQO2 P16083 1/20 0.32

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
SCHEMBL30954965 0.77
SCHEMBL970957 0.74 SMN1; SMN2 (0.36) MAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL30954923 0.73 PLAU (0.34) TSHR
SCHEMBL18157361 0.71 MAPT (0.36) TSHRMAPTLMNAALDH1A1MEN1
SCHEMBL2253987 0.71 TSHR (0.38) S1PR4TSHRMAPTALDH1A1CHEK1
SCHEMBL961555 0.70 ALDH1A1 (0.47) S1PR4TSHRMAPTLMNAALDH1A1
SCHEMBL3325859 0.70 AMY1A (0.32) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL3321918 0.70 GAA (0.36) S1PR4TSHRMAPTALDH1A1MEN1
SCHEMBL25309468 0.69 S1PR4 (0.39) S1PR4TSHRMAPTLMNAALDH1A1
SCHEMBL8467266 0.66 TSHR (0.56) TSHRMAPTLMNAALDH1A1MEN1

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
EP-4626546-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2025-10-08 EP disclosed
WO-2024116086-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-06-06 WO disclosed