SCHEMBL30466489

SCHEMBL30466489

Cc1cccc([N+](=O)[O-])c1Nc1ncc(I)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ HSD17B10 Q99714 1/20 0.44
▸ KCNMA1 Q12791 1/20 0.43
▸ LCK P06239 1/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ MAPT P10636 3/20 0.41
▸ TDP1 Q9NUW8 3/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ MEN1 O00255 3/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ CRHBP P24387 1/20 0.37
▸ CRHR2 Q13324 1/20 0.37
▸ STAT3 P40763 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ HTT P42858 1/20 0.36

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
SCHEMBL18131712 1.00 TSHR (0.45) TSHRSMN1; SMN2HSD17B10KCNMA1LCK
SCHEMBL18134016 0.89 TSHR (0.47) TSHRSMN1; SMN2HSD17B10KCNMA1LCK
SCHEMBL15412383 0.86 TSHR (0.45) TSHRSMN1; SMN2HSD17B10KCNMA1LCK
SCHEMBL21386640 0.85 SMN1; SMN2 (0.50) TSHRSMN1; SMN2HSD17B10KCNMA1LCK
SCHEMBL18131701 0.84 TSHR (0.43) TSHRSMN1; SMN2HSD17B10KCNMA1LCK
SCHEMBL18131743 0.83 TSHR (0.42) TSHRSMN1; SMN2HSD17B10KCNMA1LCK
SCHEMBL18131745 0.78 MAPT (0.37) KMT2AMAPTTDP1L3MBTL1MEN1
SCHEMBL15413168 0.75 FGFR4 (0.60) TSHRSMN1; SMN2KCNMA1KMT2AMAPT
SCHEMBL28492231 0.75 SMN1; SMN2 (0.45) TSHRSMN1; SMN2HSD17B10KCNMA1LCK
SCHEMBL27143115 0.75 TSHR (0.45) TSHRSMN1; SMN2HSD17B10KCNMA1LCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118908899-A FGFR4 inhibitor and preparation and application thereof 重庆医科大学 2024-11-08 — — CN disclosed
CN-115947693-B FGFR4 inhibitor and preparation and application thereof 重庆医科大学 2024-11-05 — — CN disclosed
CN-115947693-A FGFR4 inhibitor and preparation and application thereof 重庆医科大学 2023-04-11 — — CN disclosed
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