SCHEMBL19971408

SCHEMBL19971408

Cn1cc(C(N)=O)c2ccc(Br)cc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 3/20 0.47
MAP2K2 P36507 1/20 0.47
DGAT1 O75907 1/20 0.45
PDGFRA P16234 1/20 0.43
CDK5 Q00535 1/20 0.43
TYRO3 Q06418 1/20 0.43
KMT2A Q03164 4/20 0.42
KDM4E B2RXH2 3/20 0.40
CDK2 P24941 1/20 0.40
NR4A2 P43354 1/20 0.40
POLB P06746 1/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
MAPT P10636 2/20 0.39
MITF O75030 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 2/20 0.38

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
SCHEMBL1096533 0.87 CDK2 (0.49) MAP2K1PDGFRACDK5TYRO3KMT2A
SCHEMBL7522675 0.83 ALDH1A1 (0.44) PDGFRACDK5TYRO3KMT2ACDK2
SCHEMBL25742134 0.82 PDGFRA (0.40) MAP2K1MAP2K2PDGFRACDK5TYRO3
SCHEMBL7504662 0.81 KMT2A (0.40) PDGFRACDK5TYRO3KMT2AKDM4E
SCHEMBL497718 0.81 NR4A2 (0.63) KMT2AKDM4ENR4A2MAPTALDH1A1
SCHEMBL30568918 0.81 IDO1 (0.54) MAP2K1MAP2K2KMT2AKDM4ECDK2
SCHEMBL29164497 0.80 HTT (0.64) PDGFRACDK5TYRO3KMT2AKDM4E
SCHEMBL2425287 0.79 NR4A2 (0.46) KMT2AKDM4ECDK2NR4A2MAPT
SCHEMBL25742143 0.79 CDK2 (0.38) MAP2K1MAP2K2PDGFRACDK5TYRO3
SCHEMBL23362197 0.78 LMNA (0.48) MAP2K1KMT2AKDM4ECDK2CNR1

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 claimed