SCHEMBL24076367

SCHEMBL24076367

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 3/20 0.57
▸ BRD9 Q9H8M2 1/20 0.40
▸ DHODH Q02127 3/20 0.39
▸ RORA P35398 1/20 0.39
▸ RORC P51449 1/20 0.39
▸ RORB Q92753 1/20 0.39
▸ GPR139 Q6DWJ6 2/20 0.39
▸ KAT2B Q92831 1/20 0.38
▸ AKR1B1 P15121 2/20 0.37
▸ MAPT P10636 2/20 0.36
▸ PDE2A O00408 2/20 0.36
▸ DDR1 Q08345 1/20 0.36
▸ G6PD P11413 1/20 0.36
▸ TLR9 Q9NR96 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ NSD2 O96028 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ HPGD P15428 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
SCHEMBL24077226 0.86 NLRP3 (0.54) NLRP3DHODHRORARORCRORB
SCHEMBL24076327 0.86 NLRP3 (0.64) NLRP3GPR139AKR1B1
SCHEMBL30168567 0.86 NLRP3 (0.64) NLRP3GPR139AKR1B1
SCHEMBL24076302 0.84 NLRP3 (0.62) NLRP3GPR139AKR1B1MAPTLMNA
SCHEMBL24076307 0.83 NLRP3 (0.58) NLRP3GPR139MEN1ALDH1A1POLB
SCHEMBL26732911 0.82 NLRP3 (0.63) NLRP3GPR139AKR1B1MAPT
SCHEMBL29426566 0.82 NLRP3 (0.63) NLRP3GPR139AKR1B1MAPT
SCHEMBL24076964 0.82 NLRP3 (0.68) NLRP3GPR139AKR1B1MAPTSMN1; SMN2
SCHEMBL30636646 0.79 NLRP3 (0.57) NLRP3GPR139AKR1B1MAPTLMNA
SCHEMBL24077080 0.79 AKR1B1 (0.46) NLRP3BRD9RORARORCRORB

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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