SCHEMBL8897404

SCHEMBL8897404

O=c1oc(Nc2c(Cl)cccc2Cl)nc2cc(C(F)(F)F)ccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
C1R P00736 15/20 1.00
F7 P08709 1/20 0.54
F3 P13726 1/20 0.54
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
ALDH1A1 P00352 1/20 0.49
KDM4E B2RXH2 2/20 0.46
ELANE P08246 1/20 0.42
JAK2 O60674 1/20 0.41

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
SCHEMBL7332595 0.84 C1R (1.00) C1RNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3453097 0.81 C1R (0.71) C1RF7F3NPC1RAB9A
SCHEMBL7336273 0.79 C1R (1.00) C1RNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7329344 0.78 C1R (1.00) C1RF7F3NPC1RAB9A
SCHEMBL3452889 0.75 C1R (0.65) C1RF7F3NPC1RAB9A
SCHEMBL6506326 0.74 C1R (0.70) C1RNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3452111 0.73 NPC1 (0.71) C1RNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6229437 0.73 ELANE (0.63) C1RNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3452527 0.71 ELANE (0.74) C1RNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL915758 0.70 F7 (1.00) C1RF7F3ALDH1A1KDM4E

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