SCHEMBL19983736

SCHEMBL19983736

CNCc1cn(Sc2cccnc2)c2cc(Nc3ccc([N+](=O)[O-])cc3Cl)ccc12

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.38
CYP2C19 P33261 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
BCL6 P41182 2/20 0.38
BCOR Q6W2J9 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
ALDH1A1 P00352 3/20 0.35
GAA P10253 2/20 0.34
KDM4E B2RXH2 2/20 0.34
ABCG2 Q9UNQ0 4/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
ATM Q13315 1/20 0.33
PKM P14618 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GLA P06280 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
SCHEMBL19983733 0.88 SLC6A2 (0.37) MAPTCYP2C19CYP1A2CYP2D6CYP2C9
SCHEMBL19984171 0.86 POLB (0.37) BCL6ALDH1A1KDM4E
SCHEMBL19983883 0.86 HTR2C (0.32) BCL6BCOR
SCHEMBL19983850 0.85 LRRK2 (0.40) BCL6ABCG2
SCHEMBL19984135 0.83 BCL6 (0.40) MAPTBCL6BCORALDH1A1KDM4E
SCHEMBL19983743 0.83 SRC (0.40) GAA
SCHEMBL16626687 0.82 MAPT (0.38) MAPTCYP2C19CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL16618902 0.81 MAPT (0.37) MAPTCYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL19984127 0.81 NUDT1 (0.36) CYP2C19CYP1A2CYP2D6CYP2C9
SCHEMBL19984087 0.81 SLC6A2 (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