SCHEMBL29518037

SCHEMBL29518037

CCOc1ccc2nc(Sc3ccccc3)c(C=C3N=C(c4ccccc4)OC3=O)cc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ TNNI3 P19429 1/20 0.48
▸ CRHBP P24387 1/20 0.48
▸ TNNT2 P45379 1/20 0.48
▸ TNNC1 P63316 1/20 0.48
▸ CRHR2 Q13324 1/20 0.48
▸ CSNK2A2 P19784 1/20 0.48
▸ CSNK2B P67870 1/20 0.48
▸ CSNK2A1 P68400 1/20 0.48
▸ KEAP1 Q14145 1/20 0.43
▸ NFE2L2 Q16236 1/20 0.43
▸ RECQL P46063 1/20 0.41
▸ ALDH1A1 P00352 5/20 0.40
▸ MAPT P10636 5/20 0.40
▸ LMNA P02545 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ KDM4E B2RXH2 4/20 0.39
▸ PDE3B Q13370 1/20 0.39
▸ PDE3A Q14432 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
SCHEMBL22505764 1.00 KMT2A (0.48) KMT2AMEN1TNNI3CRHBPTNNT2
SCHEMBL22501177 1.00 KMT2A (0.48) KMT2AMEN1TNNI3CRHBPTNNT2
SCHEMBL22501176 1.00 KMT2A (0.48) KMT2AMEN1TNNI3CRHBPTNNT2
SCHEMBL24241480 0.86 CSNK2A2 (0.42) KMT2AMEN1TNNI3CRHBPTNNT2
SCHEMBL6795744 0.74 CSNK2A2 (0.79) KMT2AMEN1TNNI3CRHBPTNNT2
SCHEMBL6795748 0.74 CSNK2A2 (0.79) KMT2AMEN1TNNI3CRHBPTNNT2
SCHEMBL6789689 0.73 ALDH1A1 (0.64) KMT2AMEN1TNNI3CRHBPTNNT2
SCHEMBL6789685 0.73 ALDH1A1 (0.64) KMT2AMEN1TNNI3CRHBPTNNT2
SCHEMBL24534750 0.73 KMT2A (0.48) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL15421791 0.68 KMT2A (0.82) KMT2AMEN1TNNI3CRHBPTNNT2

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-2022071777-A1 COMPOSITION AND METHOD FOR PREVENTION OR TREATMENT OF RESPIRATORY DISEASE 연세대학교 산학협력단 2022-04-07 — — WO claimed
WO-2022071777-A1 COMPOSITION AND METHOD FOR PREVENTION OR TREATMENT OF RESPIRATORY DISEASE 연세대학교 산학협력단 2022-04-07 — — WO disclosed
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