SCHEMBL24830799

SCHEMBL24830799

CC1CC=CCc2c1[nH]c1ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 2/20 0.46
ADRA1A P35348 2/20 0.46
ADRA1B P35368 2/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
BRD3 Q15059 1/20 0.42
POLB P06746 1/20 0.42
HTR7 P34969 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
CHRNA7 P36544 1/20 0.41
MAPK10 P53779 1/20 0.40
RIPK1 Q13546 1/20 0.40
KDM4E B2RXH2 2/20 0.40
HTT P42858 2/20 0.40
MAPT P10636 2/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL10749016 0.85 MEN1 (0.45) ADRA1DADRA1AADRA1BMEN1KMT2A
SCHEMBL14584257 0.75 BRD3 (0.57) ADRA1DADRA1AADRA1BBRD3POLB
SCHEMBL18932895 0.72 TAAR1 (0.49) ADRA1DADRA1AADRA1BMEN1KMT2A
SCHEMBL7088610 0.72 BRD3 (0.67) ADRA1DADRA1AADRA1BMEN1KMT2A
SCHEMBL10749022 0.71 MEN1 (0.44) ADRA1DADRA1AADRA1BMEN1KMT2A
SCHEMBL7074767 0.71 HTR7 (0.55) ADRA1DADRA1AADRA1BBRD3POLB
SCHEMBL14930690 0.71 BRD3 (0.60) ADRA1DADRA1AADRA1BMEN1KMT2A
SCHEMBL10743387 0.70 ADRA1D (0.45) ADRA1DADRA1AADRA1BMEN1KMT2A
SCHEMBL29486335 0.70 NR2E1 (0.51) ADRA1DADRA1AADRA1BMEN1KMT2A
SCHEMBL10747583 0.69 ADRA1D (0.44) ADRA1DADRA1AADRA1BMEN1KMT2A

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-3702349-B1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO LTD (KR) 2023-01-04 EP disclosed