SCHEMBL29083759

SCHEMBL29083759

COc1ccc(CCC(=O)Nc2cc(Br)ccn2)cc1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.69
▸ ALDH1A1 P00352 3/20 0.58
▸ MAPK10 P53779 2/20 0.58
▸ NR3C2 P08235 1/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ RIOK2 Q9BVS4 4/20 0.54
▸ ALPL P05186 1/20 0.54
▸ GSK3B P49841 1/20 0.52
▸ MAPK14 Q16539 1/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ POLB P06746 1/20 0.50
▸ GSK3A P49840 1/20 0.49
▸ F2RL1 P55085 1/20 0.49
▸ CASP6 P55212 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ MAPK1 P28482 1/20 0.48

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
SCHEMBL29083803 0.88 MAPK10 (0.75) TSHRALDH1A1MAPK10NR3C2SMN1; SMN2
SCHEMBL30367058 0.83 RAB9A (0.61) TSHRALDH1A1NR3C2SMN1; SMN2L3MBTL1
SCHEMBL15941191 0.79 HPGD (0.56) TSHRALDH1A1MAPK10L3MBTL1RIOK2
SCHEMBL31240707 0.78 CYP1A2 (0.58) TSHRALDH1A1NR3C2SMN1; SMN2KMT2A
SCHEMBL29083771 0.78 F2 (0.64) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL16877226 0.78 SMN1; SMN2 (0.58) ALDH1A1MAPK10NR3C2SMN1; SMN2L3MBTL1
SCHEMBL15648214 0.77 FPR2 (0.67) TSHRALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL1555088 0.76 HPGD (0.54) TSHRALDH1A1MAPK10SMN1; SMN2L3MBTL1
SCHEMBL29276334 0.76 ALDH1A1 (0.55) TSHRALDH1A1MAPK10NR3C2SMN1; SMN2
SCHEMBL1554419 0.74 RIOK2 (0.57) ALDH1A1SMN1; SMN2L3MBTL1RIOK2MAPK14

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
CN-116836153-B CDK9-Cyclin T1 protein interaction inhibitor and application thereof 厦门大学 2026-05-19 — — CN disclosed
CN-116836153-A CDK9-Cyclin T1 protein interaction inhibitor and application thereof 厦门大学 2023-10-03 — — CN disclosed
Send feedback