SCHEMBL7333676

SCHEMBL7333676

O=c1oc(Nc2ccccc2Br)nc2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
C1R P00736 10/20 1.00
NPC1 O15118 5/20 0.70
RAB9A P51151 5/20 0.70
ALDH1A1 P00352 3/20 0.70
SMN1; SMN2 Q16637 3/20 0.70
MAPT P10636 1/20 0.70
HTT P42858 1/20 0.70
NPSR1 Q6W5P4 1/20 0.70
ELANE P08246 6/20 0.66
KDM4E B2RXH2 3/20 0.58
LMNA P02545 1/20 0.58
HPGD P15428 1/20 0.58
KMT2A Q03164 1/20 0.55
ABCG2 Q9UNQ0 1/20 0.52

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
SCHEMBL7341878 0.82 C1R (1.00) C1RNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL7333151 0.82 C1R (1.00) C1RNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL7333033 0.82 C1R (1.00) C1RNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL7339597 0.82 C1R (1.00) C1RNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL8896885 0.80 C1R (0.71) C1RNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL3452604 0.80 ELANE (1.00) C1RNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL3453537 0.78 C1R (0.70) C1RNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL7331952 0.76 C1R (1.00) C1RNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL7330905 0.74 ELANE (1.00) C1RNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL3453188 0.74 ELANE (0.76) C1RNPC1RAB9AALDH1A1SMN1; SMN2

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