SCHEMBL20748620

SCHEMBL20748620

Cc1ccc2ncc3c(c2c1)C(C)CC=C3

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.36
KDM4E B2RXH2 2/20 0.34
HTR1A P08908 2/20 0.34
ADRA1D P25100 2/20 0.34
ADRA1A P35348 2/20 0.34
ADRA1B P35368 2/20 0.34
CHRM4 P08173 2/20 0.34
TP53 P04637 1/20 0.34
ALDH1A1 P00352 1/20 0.33
IRAK4 Q9NWZ3 5/20 0.33
GRM5 P41594 1/20 0.32
TNF P01375 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
ACVR1 Q04771 1/20 0.32
LMNA P02545 1/20 0.31

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
SCHEMBL2874247 0.67 CHRNB2 (0.38)
SCHEMBL18570404 0.66 CCR1 (0.31)
SCHEMBL23951412 0.65
SCHEMBL19380418 0.64 TSHR (0.36) KDM4ETP53ALDH1A1MAPK1HTT
SCHEMBL12311608 0.63 PARP1 (0.46) PARP1KDM4EHTR1AADRA1DADRA1A
SCHEMBL862347 0.63 CCR1 (0.48) PARP1KDM4EHTR1AADRA1DADRA1A
SCHEMBL9539910 0.63 CYP1A2 (0.52) PARP1KDM4EHTR1AADRA1DADRA1A
SCHEMBL20651243 0.63 MET (0.34) PARP1
SCHEMBL18533290 0.63 ACHE (0.51) PARP1KDM4EHTTLMNA
SCHEMBL28988476 0.62 ALDH1A1 (0.46) PARP1KDM4EHTR1AADRA1DADRA1A

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-3444860-A1 ORGANIC LIGHT-EMITTING DEVICE AND APPARATUS INCLUDING THE SAME Samsung Display Co., Ltd. (KR) 2019-02-20 EP disclosed