SCHEMBL29490261

SCHEMBL29490261

Cn1c(=O)n(C)c2cc(Cn3cnc4ccc(C5CC5)cc43)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 2/20 0.41
▸ CSF1R P07333 2/20 0.41
▸ NTRK2 Q16620 2/20 0.41
▸ TRIM24 O15164 1/20 0.40
▸ BRD4 O60885 8/20 0.39
▸ LMNA P02545 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ EP300 Q09472 1/20 0.39
▸ CREBBP Q92793 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ UBE2N P61088 1/20 0.37
▸ PDE2A O00408 3/20 0.37
▸ PDE1A P54750 3/20 0.37
▸ PDE1B Q01064 3/20 0.37
▸ PDE1C Q14123 3/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ CYP11B1 P15538 1/20 0.37

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
SCHEMBL22862442 1.00 NTRK1 (0.41) NTRK1CSF1RNTRK2TRIM24BRD4
SCHEMBL38653371 0.92 CSF1R (0.47) NTRK1CSF1RNTRK2TRIM24BRD4
SCHEMBL22862657 0.92 CSF1R (0.47) NTRK1CSF1RNTRK2TRIM24BRD4
SCHEMBL29490219 0.81 BRD4 (0.46) BRD4LMNAHTTEP300CREBBP
SCHEMBL22862448 0.78 SMN1; SMN2 (0.42) LMNAHTTSMN1; SMN2TSHRL3MBTL1
SCHEMBL29490240 0.78 SMN1; SMN2 (0.42) LMNAHTTSMN1; SMN2TSHRL3MBTL1
SCHEMBL22862649 0.77 PDE2A (0.41) LMNAHTTSMN1; SMN2TSHRL3MBTL1
SCHEMBL29490228 0.77 PDE2A (0.41) LMNAHTTSMN1; SMN2TSHRL3MBTL1
SCHEMBL22862779 0.76 TRIM24 (0.40) TRIM24BRD4LMNAHTTSMN1; SMN2
SCHEMBL22862638 0.76 TRIM24 (0.42) TRIM24BRD4LMNAHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3976009-A2 BAX INHIBITORS AND USES THEREOF Case Western Reserve University (US) 2022-04-06 — — EP disclosed
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