SCHEMBL8897591

SCHEMBL8897591

Cc1ccc2c(=O)oc(Nc3ccccc3Cl)nc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
C1R P00736 19/20 1.00
NPC1 O15118 3/20 0.72
RAB9A P51151 3/20 0.72
ALDH1A1 P00352 2/20 0.72
SMN1; SMN2 Q16637 1/20 0.72
MAPT P10636 1/20 0.51
HTT P42858 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL8898149 0.85 C1R (1.00) C1RNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL7329706 0.84 C1R (1.00) C1RNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL7333033 0.84 C1R (1.00) C1RNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL3453817 0.82 C1R (0.69) C1RNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL3453634 0.82 ELANE (0.71) C1RNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL7333771 0.81 C1R (1.00) C1RNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL3453116 0.80 C1R (0.67) C1RNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL3452122 0.77 C1R (0.63) C1RNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL3452791 0.75 C1R (0.60) C1RNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL8897820 0.75 C1R (0.82) 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