SCHEMBL31262017

SCHEMBL31262017

CCCCC(O)n1nc(C#N)c2ccc(Br)cc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ NLRP3 Q96P20 1/20 0.32
▸ PDGFRA P16234 1/20 0.32
▸ CDK5 Q00535 1/20 0.32
▸ TYRO3 Q06418 1/20 0.32
▸ OXER1 Q8TDS5 2/20 0.31
▸ F2 P00734 1/20 0.31
▸ PLAU P00749 1/20 0.31
▸ ELANE P08246 1/20 0.31
▸ CTRB1 P17538 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ NFKB1 P19838 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ NFKB2 Q00653 1/20 0.30
▸ RELA Q04206 1/20 0.30

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
SCHEMBL17839887 0.78 NLRP3 (0.39) SMN1; SMN2NLRP3PDGFRACDK5TYRO3
SCHEMBL17802138 0.70 PDGFRA (0.38) SMN1; SMN2PDGFRACDK5TYRO3F2
SCHEMBL29985546 0.70 PDGFRA (0.38) SMN1; SMN2PDGFRACDK5TYRO3F2
SCHEMBL26619479 0.67 SMN1; SMN2 (0.41) SMN1; SMN2NLRP3ELANEMEN1LMNA
SCHEMBL22151999 0.66 AR (0.35) SMN1; SMN2PDGFRACDK5TYRO3F2
SCHEMBL19896301 0.65 OXER1 (0.33) SMN1; SMN2PDGFRACDK5TYRO3OXER1
SCHEMBL22155667 0.64 SMN1; SMN2 (0.42) SMN1; SMN2MEN1LMNAHTTKMT2A
SCHEMBL23993144 0.64 ESR1 (0.41) PDGFRACDK5TYRO3ELANE
SCHEMBL17673189 0.62 CREBBP (0.40) SMN1; SMN2F2PLAUELANECTRB1
SCHEMBL923650 0.61 DNM1 (0.37) SMN1; SMN2MEN1KMT2AGAA

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
CN-118804911-A Acrylamide compound NRG治疗有限公司 2024-10-18 — — CN disclosed
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