SCHEMBL29426561

SCHEMBL29426561

COC(=O)Cn1nc(C(C)C)c2cc(OC(F)F)ccc2c1=O

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 4/20 0.48
▸ TSHR P16473 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ GPR139 Q6DWJ6 5/20 0.41
▸ KMT2A Q03164 1/20 0.38
▸ MAPK1 P28482 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
SCHEMBL26630479 1.00 NLRP3 (0.48) NLRP3TSHRSMN1; SMN2POLBGPR139
SCHEMBL26732715 0.89 NLRP3 (0.47) NLRP3TSHRGPR139
SCHEMBL29426614 0.89 NLRP3 (0.47) NLRP3TSHRGPR139
SCHEMBL26738768 0.89 TSHR (0.46) NLRP3TSHRSMN1; SMN2GPR139KMT2A
SCHEMBL26732740 0.86 NLRP3 (0.49) NLRP3TSHRSMN1; SMN2GPR139KMT2A
SCHEMBL26732714 0.84 TSHR (0.50) NLRP3TSHRSMN1; SMN2KMT2A
SCHEMBL26739120 0.84 TSHR (0.50) NLRP3TSHRPOLBGPR139KMT2A
SCHEMBL30450964 0.83 NLRP3 (0.63) NLRP3TSHRPOLB
SCHEMBL30450966 0.83 TSHR (0.49) NLRP3TSHRSMN1; SMN2KMT2A
SCHEMBL26738474 0.83 TSHR (0.49) NLRP3TSHRSMN1; SMN2KMT2A

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
EP-4196125-A1 COMPOUNDS, COMPOSITIONS AND METHODS Denali Therapeutics Inc. (US) 2023-06-21 — — EP disclosed
WO-2022036204-A1 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. (US) 2022-02-17 — — WO disclosed
Send feedback