SCHEMBL23218589

SCHEMBL23218589

COC(=O)c1cccc(OCc2nn(C(C)C)c3ccc(Br)cc23)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ELANE P08246 5/20 0.50
CYSLTR1 Q9Y271 1/20 0.44
NR1H4 Q96RI1 2/20 0.42
MRGPRX4 Q96LA9 1/20 0.42
MAOB P27338 2/20 0.42
MAOA P21397 1/20 0.42
SMPD1 P17405 1/20 0.41
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 2/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.40
PPARG P37231 2/20 0.40
VDR P11473 1/20 0.39
NLRP3 Q96P20 1/20 0.39

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
SCHEMBL29853032 1.00 ELANE (0.50) ELANECYSLTR1NR1H4MRGPRX4MAOB
SCHEMBL29593262 1.00 ELANE (0.50) ELANECYSLTR1NR1H4MRGPRX4MAOB
SCHEMBL28736134 0.90 MRGPRX4 (0.48) ELANECYSLTR1MRGPRX4MAOBMAOA
SCHEMBL23218892 0.85 NLRP3 (0.40) ELANEMRGPRX4MAOBMAOASMPD1
SCHEMBL29852680 0.83 LOXL2 (0.46) CYSLTR1NR1H4MRGPRX4VDR
SCHEMBL23218806 0.83 LOXL2 (0.46) CYSLTR1NR1H4MRGPRX4VDR
SCHEMBL23229140 0.76 NLRP3 (0.38) ELANELMNASMN1; SMN2TSHRNLRP3
SCHEMBL23218901 0.75 ALDH1A1 (0.44) ELANEKDM4EHSD17B10POLBNLRP3
SCHEMBL23218861 0.74 PTGER1 (0.40) ELANEKDM4ELMNASMN1; SMN2TSHR
SCHEMBL29591284 0.74 PTGER1 (0.40) ELANEKDM4ELMNASMN1; SMN2TSHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4041238-A1 ORAL COMPLEMENT FACTOR D INHIBITORS Biocryst Pharmaceuticals, Inc. (US) 2022-08-17 EP disclosed
CN-114502168-A Oral complement factor D inhibitors 拜奥克里斯特制药公司 2022-05-13 CN disclosed
WO-2021072198-A1 ORAL COMPLEMENT FACTOR D INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2021-04-15 WO disclosed
WO-2021072198-A1 ORAL COMPLEMENT FACTOR D INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2021-04-15 WO disclosed