SCHEMBL8896637

SCHEMBL8896637

O=c1oc(Nc2cccc(I)c2)nc2ccccc12

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ELANE P08246 8/20 0.74
NPC1 O15118 5/20 0.72
RAB9A P51151 5/20 0.72
KDM4E B2RXH2 3/20 0.72
SMN1; SMN2 Q16637 3/20 0.72
C1R P00736 7/20 0.61
ALDH1A1 P00352 3/20 0.61
LMNA P02545 1/20 0.61
HPGD P15428 1/20 0.61
ABCG2 Q9UNQ0 1/20 0.55
MAPT P10636 1/20 0.54
HTT P42858 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
EGFR P00533 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
SCHEMBL3452604 0.85 ELANE (1.00) ELANENPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL8898698 0.85 ELANE (0.80) ELANENPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL3453912 0.82 ELANE (0.70) ELANENPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL3453874 0.81 ELANE (0.73) ELANENPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL3452111 0.81 NPC1 (0.71) ELANENPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL3452339 0.76 ELANE (0.80) ELANENPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL3452148 0.76 ELANE (0.80) ELANENPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL7339597 0.76 C1R (1.00) ELANENPC1RAB9ASMN1; SMN2C1R
SCHEMBL3453350 0.76 ELANE (0.80) ELANENPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL3452177 0.76 ELANE (0.80) ELANENPC1RAB9AKDM4ESMN1; 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 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