SCHEMBL21958732

SCHEMBL21958732

BC1CCCCC(OCc2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.54
PRMT6 Q96LA8 1/20 0.54
DRD4 P21917 9/20 0.48
SIGMAR1 Q99720 9/20 0.48
DRD1 P21728 1/20 0.48
IDO1 P14902 2/20 0.48
DRD3 P35462 4/20 0.47
TMEM97 Q5BJF2 1/20 0.47
MGLL Q99685 1/20 0.46
TACR1 P25103 3/20 0.43
SLC6A4 P31645 2/20 0.42
MAOB P27338 1/20 0.42

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
SCHEMBL24780705 0.96 CARM1 (0.55) CARM1PRMT6DRD4SIGMAR1DRD1
SCHEMBL30754913 0.88 CARM1 (0.62) CARM1PRMT6DRD4SIGMAR1DRD1
SCHEMBL21958107 0.87 CARM1 (0.51) CARM1PRMT6DRD4SIGMAR1DRD1
SCHEMBL102306 0.79 CARM1 (0.58) CARM1PRMT6DRD4SIGMAR1DRD1
SCHEMBL2297042 0.79 CARM1 (0.58) CARM1PRMT6DRD4SIGMAR1DRD1
SCHEMBL8633784 0.77 CARM1 (0.57) CARM1PRMT6DRD4SIGMAR1DRD1
SCHEMBL30754850 0.77 MGLL (0.56) CARM1PRMT6DRD4SIGMAR1IDO1
SCHEMBL14261323 0.75 CARM1 (0.48) CARM1PRMT6DRD4SIGMAR1DRD1
SCHEMBL24168671 0.75 SLC6A4 (0.59) CARM1PRMT6DRD4SIGMAR1DRD1
SCHEMBL30334859 0.75 SLC6A4 (0.59) CARM1PRMT6DRD4SIGMAR1DRD1

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
WO-2020081572-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-04-23 WO disclosed