SCHEMBL19983950

SCHEMBL19983950

CNCc1cn([S+]([O-])c2cccnc2)c2cc(Cc3ccc(OC(F)(F)F)cc3)ccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
MAT2A P31153 1/20 0.35
ABL1 P00519 3/20 0.34
BCR P11274 3/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
DGAT2 Q96PD7 1/20 0.33
ROCK2 O75116 1/20 0.33
AHR P35869 1/20 0.33
NTRK1 P04629 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
SLC6A4 P31645 1/20 0.32
PDK1 Q15118 1/20 0.32
CHRM5 P08912 1/20 0.32
NPY5R Q15761 1/20 0.32

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
SCHEMBL16626644 0.91 CYP11B1 (0.37) CYP11B1CYP11B2MAT2AABL1BCR
SCHEMBL19983960 0.90 CYP11B1 (0.36) CYP11B1CYP11B2MAT2AABL1CYP3A4
SCHEMBL16626750 0.86 RAB9A (0.36) RAB9A
SCHEMBL19984028 0.83 ALDH1A1 (0.37) CYP11B1CYP11B2CYP2C9DGAT2
SCHEMBL16626624 0.80 KLKB1 (0.33) RAB9A
SCHEMBL16626783 0.79 P2RX7 (0.35) DGAT2SLC6A4
SCHEMBL16626650 0.79 SLC6A4 (0.33) CYP11B1CYP11B2MAT2ASLC6A4
SCHEMBL16626784 0.78 HTR6 (0.42) CYP11B1CYP11B2MAT2ADGAT2TRPM8
Hydrochloric Acid SCHEMBL16618786 0.77 HTR6 (0.42) CYP11B1CYP11B2MAT2ADGAT2TRPM8
SCHEMBL16626672 0.77 ALDH1A1 (0.35) NPC1RAB9ASLC6A4

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
EP-3052484-B1 SULFONYLINDOLE DERIVATIVES AND METHOD FOR PREPARING THE SAME DAE WOONG PHARMA (KR) 2018-03-21 EP disclosed