SCHEMBL24076916

SCHEMBL24076916

CCn1nc(C(C)C)c2cc(OC)ccc2c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.42
▸ KAT2B Q92831 3/20 0.41
▸ NLRP3 Q96P20 1/20 0.40
▸ GPR139 Q6DWJ6 3/20 0.39
▸ KCNA5 P22460 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ HAVCR2 Q8TDQ0 1/20 0.39
▸ DPP4 P27487 1/20 0.39
▸ TXNRD1 Q16881 1/20 0.39
▸ TXNRD3 Q86VQ6 1/20 0.39
▸ TXNRD2 Q9NNW7 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ DHODH Q02127 2/20 0.38
▸ PDE1A P54750 1/20 0.38
▸ PDE1B Q01064 1/20 0.38
▸ PDE1C Q14123 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38

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
SCHEMBL24077328 0.86 NLRP3 (0.47) LMNANLRP3GPR139KDM4EKMT2A
SCHEMBL30168576 0.86 NLRP3 (0.47) LMNANLRP3GPR139KDM4EKMT2A
SCHEMBL24076914 0.83 GAA (0.50) NLRP3GPR139KDM4EMEN1MAPT
SCHEMBL24076367 0.77 NLRP3 (0.57) LMNAKAT2BNLRP3GPR139MEN1
SCHEMBL26630479 0.73 NLRP3 (0.48) NLRP3GPR139KMT2A
SCHEMBL26738768 0.73 TSHR (0.46) LMNANLRP3GPR139KDM4EKMT2A
SCHEMBL29426561 0.73 NLRP3 (0.48) NLRP3GPR139KMT2A
SCHEMBL29426614 0.72 NLRP3 (0.47) NLRP3GPR139
SCHEMBL26732715 0.72 NLRP3 (0.47) NLRP3GPR139
SCHEMBL24077038 0.72 NLRP3 (0.47) NLRP3GPR139

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
WO-2021239885-A1 COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2021-12-02 — — WO disclosed
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