SCHEMBL23219248

SCHEMBL23219248

CC(C)n1nc(-c2ccccc2CO)c2cc(Br)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 1/20 0.40
▸ PDE4B Q07343 2/20 0.39
▸ KMT2A Q03164 4/20 0.37
▸ PDE4A P27815 1/20 0.37
▸ PDE4C Q08493 1/20 0.37
▸ PDE4D Q08499 1/20 0.37
▸ PDE3B Q13370 1/20 0.37
▸ PDE3A Q14432 1/20 0.37
▸ DNMT1 P26358 1/20 0.36
▸ HTR4 Q13639 3/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ RAD52 P43351 1/20 0.35
▸ BRD4 O60885 1/20 0.34
▸ BRD9 Q9H8M2 1/20 0.34
▸ BAZ2B Q9UIF8 1/20 0.34
▸ BAZ2A Q9UIF9 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ TSPO P30536 1/20 0.34

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
SCHEMBL23219249 0.78 KDM4E (0.39) PDE4BKMT2AMEN1KDM4ENPC1
SCHEMBL23218320 0.76 NLRP3 (0.42) PDE4BDNMT1ELANENLRP3
SCHEMBL23219154 0.76 CFD (0.40) KMT2AMEN1KDM4EELANENLRP3
SCHEMBL15970798 0.70 MAPK8 (0.40) PDE4BKMT2AMEN1NPC1RAB9A
SCHEMBL23467048 0.69 NLRP3 (0.40) PDE4BKMT2AMEN1TSPOELANE
SCHEMBL17195540 0.68 NLRP3 (0.43) PDE4BKMT2AMEN1ELANENLRP3
SCHEMBL13322762 0.68 PDGFRA (0.44) PDE4BKMT2AMEN1NLRP3
SCHEMBL23219224 0.68 LMNA (0.37) PDE4BKMT2AELANENLRP3TSHR
SCHEMBL23218912 0.67 ELANE (0.45) KMT2AHTR4ELANENLRP3
SCHEMBL20740627 0.67 ELANE (0.42) HTR4BAZ2BELANENLRP3

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-2021072198-A1 ORAL COMPLEMENT FACTOR D INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2021-04-15 — — WO disclosed
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