SCHEMBL7339172

SCHEMBL7339172

COc1ccc(C(=O)N(C)c2nc3ccccc3c(=O)o2)cc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ELANE P08246 7/20 0.63
C1R P00736 3/20 0.61
ALDH1A1 P00352 4/20 0.55
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
LMNA P02545 2/20 0.55
MAPT P10636 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
KDM4E B2RXH2 2/20 0.55
BRD4 O60885 1/20 0.51
HPGD P15428 2/20 0.48
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
ALOX12 P18054 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
F2 P00734 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL7333539 0.89 ELANE (0.74) ELANEC1RNPC1RAB9ALMNA
SCHEMBL7363986 0.85 ELANE (0.66) ELANEC1R
SCHEMBL7329441 0.83 ELANE (0.63) ELANEC1R
SCHEMBL7335445 0.82 C1R (0.62) ELANEC1RALDH1A1MAPTHPGD
SCHEMBL7332639 0.81 ELANE (0.63) ELANEC1RALDH1A1NPC1RAB9A
SCHEMBL7338273 0.80 ELANE (0.58) ELANEC1RALDH1A1KDM4EHPGD
SCHEMBL7367511 0.80 ELANE (0.58) ELANEC1RALDH1A1LMNASMN1; SMN2
SCHEMBL8897422 0.79 ELANE (0.63) ELANEC1R
SCHEMBL7337764 0.79 ELANE (0.63) ELANEC1RNPC1RAB9AHTT
SCHEMBL7332303 0.78 ELANE (1.00) ELANEC1R

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