SCHEMBL8897772

SCHEMBL8897772

O=c1oc(Nc2ccccc2I)nc2cc(F)ccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
C1R P00736 18/20 1.00
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
ALDH1A1 P00352 2/20 0.57
MAPT P10636 1/20 0.57
HTT P42858 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
KDM4E B2RXH2 2/20 0.54
LMNA P02545 1/20 0.54
HPGD P15428 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54

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
SCHEMBL8898767 0.86 C1R (1.00) C1RNPC1RAB9AALDH1A1MAPT
SCHEMBL8898149 0.85 C1R (1.00) C1RNPC1RAB9AALDH1A1MAPT
SCHEMBL7333908 0.85 C1R (1.00) C1RNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL7329344 0.84 C1R (1.00) C1RNPC1RAB9AALDH1A1MAPT
SCHEMBL7339597 0.84 C1R (1.00) C1RNPC1RAB9AALDH1A1MAPT
SCHEMBL7339271 0.83 C1R (1.00) C1RNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL8898172 0.82 C1R (0.83) C1RNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL7338766 0.82 C1R (0.73) C1R
SCHEMBL3452308 0.82 NPC1 (0.75) C1RNPC1RAB9AALDH1A1MAPT
SCHEMBL8898570 0.81 C1R (1.00) C1R

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 1 patent. 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