SCHEMBL7329344

SCHEMBL7329344

O=c1oc(Nc2ccccc2I)nc2cc(C(F)(F)F)ccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
C1R P00736 19/20 1.00
NPC1 O15118 1/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
HTT P42858 1/20 0.51
RAB9A P51151 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
F7 P08709 1/20 0.50
F3 P13726 1/20 0.50

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
SCHEMBL8897772 0.84 C1R (1.00) C1RNPC1ALDH1A1MAPTHTT
SCHEMBL3453097 0.83 C1R (0.71) C1RNPC1ALDH1A1MAPTHTT
SCHEMBL7333908 0.82 C1R (1.00) C1RNPC1ALDH1A1RAB9A
SCHEMBL8898149 0.82 C1R (1.00) C1RNPC1ALDH1A1MAPTHTT
SCHEMBL7339597 0.81 C1R (1.00) C1RNPC1ALDH1A1MAPTHTT
SCHEMBL8898767 0.81 C1R (1.00) C1RNPC1ALDH1A1MAPTHTT
SCHEMBL7339271 0.80 C1R (1.00) C1RNPC1ALDH1A1RAB9A
SCHEMBL8898172 0.79 C1R (0.83) C1RNPC1ALDH1A1RAB9A
SCHEMBL7338766 0.79 C1R (0.73) C1R
SCHEMBL3452889 0.79 C1R (0.65) C1RNPC1ALDH1A1MAPTHTT

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