SCHEMBL8694486

SCHEMBL8694486

COC(=O)c1cc(OS(=O)(=O)c2ccccc2Cl)c(OC)c(C2CCN(C=NN)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2 P00734 10/20 0.46
HTR6 P50406 1/20 0.40
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ACLY P53396 2/20 0.35
CTRC Q99895 2/20 0.35
TSHR P16473 2/20 0.35
HSD17B10 Q99714 2/20 0.35
LMNA P02545 1/20 0.35
F10 P00742 2/20 0.34
PRSS2 P07478 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
DRD2 P14416 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL8695388 0.87 F2 (0.44) F2HTR6ALDH1A1CTRCF10
SCHEMBL8697603 0.87 HTR6 (0.45) F2HTR6CTRCF10PRSS2
SCHEMBL8696128 0.87 F2 (0.44) F2HTR6CTRCF10PRSS2
Hydrochloric Acid SCHEMBL8696332 0.87 HTR6 (0.43) F2HTR6CTRCF10PRSS2
SCHEMBL8694484 0.86 F2 (0.62) F2HTR6ALDH1A1L3MBTL1CTRC
Hydrochloric Acid SCHEMBL8699857 0.86 F2 (0.44) F2HTR6CTRCF10PRSS2
SCHEMBL8698733 0.84 F2 (0.47) F2LMNAMEN1KMT2A
SCHEMBL8695301 0.84 HTR6 (0.52) F2HTR6CTRCTSHRF10
Hydrochloric Acid SCHEMBL8698561 0.81 HTR6 (0.41) F2HTR6ALDH1A1CTRCTSHR
Hydrochloric Acid SCHEMBL8696075 0.81 F2 (0.44) F2ALDH1A1TSHRHSD17B10LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5792769-A POTENT ANTICOAGULANT, ANTIINFLAMMATORY AGENT; TREATMENT/PROPHYLAXIS OF RESPIRATORY SYSTEM DISORDERS, VASCULAR SYSTEM DISORDERS, ANTITUMOR AGENTS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1998-08-11 US claimed
US-5792769-A POTENT ANTICOAGULANT, ANTIINFLAMMATORY AGENT; TREATMENT/PROPHYLAXIS OF RESPIRATORY SYSTEM DISORDERS, VASCULAR SYSTEM DISORDERS, ANTITUMOR AGENTS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1998-08-11 US disclosed