SCHEMBL8896885

SCHEMBL8896885

CSc1ccccc1Nc1nc2ccccc2c(=O)o1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
C1R P00736 10/20 0.71
NPC1 O15118 5/20 0.67
RAB9A P51151 5/20 0.67
ALDH1A1 P00352 3/20 0.67
SMN1; SMN2 Q16637 3/20 0.67
MAPT P10636 1/20 0.67
HTT P42858 1/20 0.67
NPSR1 Q6W5P4 1/20 0.67
ELANE P08246 6/20 0.62
KDM4E B2RXH2 3/20 0.56
LMNA P02545 1/20 0.56
HPGD P15428 1/20 0.56

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 0.83 C1R (1.00) C1RNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL7333151 0.80 C1R (1.00) C1RNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL7333033 0.80 C1R (1.00) C1RNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL7333676 0.80 C1R (1.00) C1RNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL7339597 0.80 C1R (1.00) C1RNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL3452604 0.77 ELANE (1.00) C1RNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL3453537 0.76 C1R (0.70) C1RNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL7330905 0.76 ELANE (1.00) C1RNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL3452148 0.74 ELANE (0.80) C1RNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL30969124 0.74 KLK7 (0.67) C1RNPC1RAB9AALDH1A1MAPT

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