SCHEMBL19984013

SCHEMBL19984013

CNCc1c[nH]c2cc(Nc3ccc(OC)nc3C)ccc12

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 1/20 0.35
MTNR1A P48039 3/20 0.35
MTNR1B P49286 3/20 0.35
P2RX7 Q99572 6/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HTR6 P50406 1/20 0.34
ADORA2A P29274 1/20 0.34
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CYP3A4 P08684 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
SCHEMBL16626544 0.89 GPR84 (0.36) HTR2ACHRNB2CHRNA7CHRNA4MTNR1A
SCHEMBL19983771 0.86 CHRNB2 (0.38) HTR2ACHRNB2CHRNA7CHRNA4KDM4E
SCHEMBL19984194 0.84 GPR84 (0.39) HTR2ACHRNB2CHRNA7CHRNA4KDM4E
SCHEMBL19983880 0.83 MEN1 (0.36) HTR2ACHRNB2CHRNA7CHRNA4MTNR1A
SCHEMBL19983854 0.81 APP (0.39) HTR2ACHRNB2CHRNA7CHRNA4CYP2C9
SCHEMBL19984215 0.81 GAA (0.47) HTR2AMTNR1AMTNR1BMEN1KMT2A
SCHEMBL19983877 0.81 GPR84 (0.36) HTR2ACHRNB2CHRNA7CHRNA4MTNR1A
SCHEMBL19983892 0.80 PTGS2 (0.46) HTR2ACHRNB2CHRNA7CHRNA4KDM4E
SCHEMBL19984050 0.79 CYP1A2 (0.42) HTR2AMTNR1AMTNR1BMEN1KMT2A
SCHEMBL19983913 0.79 GPR84 (0.38) HTR2ACHRNB2CHRNA7CHRNA4ADORA2A

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