SCHEMBL19984134

SCHEMBL19984134

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HTR6 P50406 1/20 0.40
TRPV1 Q8NER1 1/20 0.39
GPR84 Q9NQS5 2/20 0.39
MTNR1A P48039 2/20 0.39
MTNR1B P49286 1/20 0.39
HTR1A P08908 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 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
HTR4 Q13639 1/20 0.37
MAPT P10636 1/20 0.37
CDK2 P24941 2/20 0.37

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
SCHEMBL19984222 0.92 CDK2 (0.41) HTR2AMEN1KMT2AHTR6TRPV1
SCHEMBL19983830 0.84 HTR2A (0.48) HTR2AMEN1KMT2AHTR6GPR84
SCHEMBL19983900 0.84 CDK2 (0.42) HTR6TRPV1HTR1ACDK2
SCHEMBL19984215 0.83 GAA (0.47) HTR2AMEN1KMT2AHTR6GPR84
SCHEMBL19983859 0.83 CDK2 (0.41) HTR2AHTR6TRPV1GPR84CDK2
SCHEMBL19983831 0.80 HTR2A (0.49) HTR2AMEN1KMT2AHTR6GPR84
SCHEMBL19983741 0.78 AKR1C3 (0.51) HTR2AMEN1KMT2AMTNR1AMTNR1B
SCHEMBL19983959 0.76 KMT2A (0.40) HTR2AMEN1KMT2AHTR6TRPV1
SCHEMBL19984242 0.76 HTR2A (0.44) HTR2AMEN1KMT2AHTR6GPR84
SCHEMBL19983880 0.75 MEN1 (0.36) HTR2AMEN1KMT2AHTR6GPR84

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