SCHEMBL19984305

SCHEMBL19984305

CNCc1cn(Sc2cccnc2)c2cc(Nc3ccc(F)cc3C)cnc12

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
SLC6A4 P31645 1/20 0.36
NOTUM Q6P988 1/20 0.35
PIM1 P11309 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
SGMS2 Q8NHU3 1/20 0.31
GRM5 P41594 1/20 0.30
LYN P07948 1/20 0.30
BTK Q06187 1/20 0.30

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
SCHEMBL19983957 0.89 SLC6A4 (0.37) ALDH1A1SLC6A4LYNBTK
SCHEMBL19984306 0.85 LCK (0.35) SLC6A4
SCHEMBL16626663 0.79 ALDH1A1 (0.40) ALDH1A1SLC6A4NOTUM
Hydrochloric Acid SCHEMBL16618976 0.79 ALDH1A1 (0.40) ALDH1A1SLC6A4NOTUM
SCHEMBL19984171 0.78 POLB (0.37) ALDH1A1PIM1PIM2SGMS2
SCHEMBL19984281 0.76 SLC6A4 (0.33) SLC6A4
SCHEMBL19983826 0.75 ABCG2 (0.37)
SCHEMBL19983721 0.74 HTR2C (0.32)
SCHEMBL16626774 0.74 SLC6A4 (0.36) ALDH1A1SLC6A4LYNBTK
SCHEMBL19984065 0.73 P2RX7 (0.34)

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