SCHEMBL19984222

SCHEMBL19984222

CNCc1c[nH]c2cc(Nc3ccc(OC(F)(F)F)cc3OC)ccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 1/20 0.41
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
TRPV1 Q8NER1 1/20 0.38
LMNA P02545 1/20 0.38
ALOX12 P18054 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTR2A P28223 2/20 0.37
GOT1 P17174 1/20 0.37
CNR2 P34972 2/20 0.36
CNR1 P21554 1/20 0.36
TRPA1 O75762 1/20 0.36
APP P05067 1/20 0.36
HTR6 P50406 2/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
GPR84 Q9NQS5 1/20 0.34

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
SCHEMBL19984134 0.92 HTR2A (0.41) CDK2MEN1KMT2ATRPV1LMNA
SCHEMBL19983900 0.88 CDK2 (0.42) CDK2TRPV1GOT1TRPA1HTR6
SCHEMBL19983859 0.87 CDK2 (0.41) CDK2TRPV1HTR2AGOT1TRPA1
SCHEMBL19983959 0.82 KMT2A (0.40) CDK2MEN1KMT2ATRPV1SMN1; SMN2
SCHEMBL19983830 0.80 HTR2A (0.48) CDK2MEN1KMT2ASMN1; SMN2HTR2A
SCHEMBL19984215 0.79 GAA (0.47) CDK2MEN1KMT2ASMN1; SMN2HTR2A
SCHEMBL19983831 0.78 HTR2A (0.49) MEN1KMT2ALMNAMAPK1SMN1; SMN2
SCHEMBL19983934 0.78 TUBB1 (0.41) CDK2TRPV1IDO1TDO2
SCHEMBL19983858 0.75 GPR84 (0.40) HTR2AAPPGPR84
SCHEMBL19983951 0.75 TRPV1 (0.41) CDK2MEN1KMT2ATRPV1SMN1; SMN2

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