SCHEMBL7361834

SCHEMBL7361834

COc1ccc2nc(N(C)C(=O)c3ccccc3I)oc(=O)c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C1R P00736 5/20 0.57
ELANE P08246 2/20 0.47
NPSR1 Q6W5P4 2/20 0.43
HSD17B10 Q99714 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 1/20 0.41
PLA2G2A P14555 1/20 0.41
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 3/20 0.40
HPGD P15428 2/20 0.40
POLB P06746 1/20 0.40
PLA2G10 O15496 1/20 0.40
CTSG P08311 1/20 0.40
KLK7 P49862 1/20 0.40
KLK14 Q9P0G3 1/20 0.40
KLK5 Q9Y337 1/20 0.40
TP53 P04637 1/20 0.39
F2 P00734 1/20 0.39
NPC1 O15118 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
SCHEMBL7364248 0.92 ELANE (0.47) C1RELANENPSR1MAPTKMT2A
SCHEMBL7331779 0.86 C1R (0.55) C1RELANEHSD17B10MAPTKMT2A
SCHEMBL7333524 0.85 C1R (0.54) C1RELANEALDH1A1KDM4ETP53
SCHEMBL7333602 0.84 ELANE (0.66) C1RELANEF2
SCHEMBL7332212 0.82 C1R (0.53) C1RELANEMAPTALDH1A1KDM4E
SCHEMBL7332215 0.80 MAPT (0.58) C1RELANEMAPTALDH1A1KDM4E
SCHEMBL7332663 0.79 C1R (0.51) C1RELANEMAPTALDH1A1KDM4E
SCHEMBL7339172 0.76 ELANE (0.63) C1RELANENPSR1MAPTKMT2A
SCHEMBL7332639 0.76 ELANE (0.63) C1RELANEALDH1A1KDM4EHPGD
SCHEMBL7337985 0.74 C1R (0.54) C1RELANE

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
US-5652237-A 2-substituted-4H-3, 1-benzoxazin-4-ones and benzthiazin-4-ones as inhibitors of complement C1r protease for the treatment of inflammatory processes WARNER-LAMBERT COMPANY (US) 1997-07-29 US disclosed
WO-1996007648-A1 2-SUBSTITUTED-4H-3,1-BENZOXAZIN-4-ONES AND BENZTHIAZIN-4-ONES AS INHIBITORS OF COMPLEMENT Clr PROTEASE FOR THE TREATMENT OF INFLAMMATORY PROCESSES WARNER-LAMBERT COMPANY (US) 1996-03-14 WO disclosed