SCHEMBL25026083

SCHEMBL25026083

COc1ccc2[nH]cc(NC(=O)C3(C)CC3)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.53
MTNR1A P48039 10/20 0.49
MTNR1B P49286 9/20 0.49
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 2/20 0.48
RAB9A P51151 2/20 0.48
KMT2A Q03164 2/20 0.48
MITF O75030 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ALDH1A1 P00352 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP1A1 P04798 1/20 0.46
MPO P05164 1/20 0.46
CYP3A4 P08684 1/20 0.46
HTR1A P08908 1/20 0.46
CYP2D6 P10635 1/20 0.46
HPGD P15428 1/20 0.46
NQO2 P16083 1/20 0.46

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
SCHEMBL25025898 0.92 NR4A2 (0.48) NR4A2MTNR1AMTNR1BKDM4EMEN1
SCHEMBL25565262 0.85 MTNR1A (0.53) NR4A2MTNR1AMTNR1BKDM4EMEN1
SCHEMBL25025846 0.85 MTNR1A (0.42) NR4A2MTNR1AMTNR1BKDM4EALDH1A1
SCHEMBL25025782 0.82 NR4A2 (0.49) NR4A2MTNR1AMTNR1BMEN1KMT2A
SCHEMBL6100002 0.81 NR4A2 (0.61) NR4A2MTNR1AMTNR1BKDM4EMEN1
SCHEMBL25554541 0.81 MTNR1A (0.47) MTNR1AMTNR1BHTR1A
SCHEMBL25554592 0.79 STING1 (0.36) NR4A2MTNR1AMTNR1BMAPTHTR4
SCHEMBL25025532 0.79 S1PR1 (0.45) HTR1A
SCHEMBL25554596 0.79 STING1 (0.36) NR4A2MTNR1AMTNR1BMAPTHTR4
SCHEMBL25025916 0.78 MTNR1A (0.44) MTNR1AMTNR1BMEN1KMT2A

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-2023018781-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2023-02-16 WO disclosed