SCHEMBL31147784

SCHEMBL31147784

COCCn1cnc2cc(C(=O)NCCc3ccc(O)cc3)ccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.52
CNR2 P34972 2/20 0.51
MAPT P10636 5/20 0.49
LMNA P02545 2/20 0.49
HPGD P15428 3/20 0.49
CYP2C19 P33261 3/20 0.49
CYP2C9 P11712 2/20 0.49
CYP1A2 P05177 2/20 0.49
MAPK1 P28482 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
POLB P06746 1/20 0.48
NPC1 O15118 2/20 0.47
ESRRB O95718 2/20 0.47
ESRRG P62508 2/20 0.47
CYP2D6 P10635 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP3A4 P08684 1/20 0.46
GAA P10253 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
SCHEMBL15774565 0.87 HPGD (0.62) LMNAHPGDCYP2C19CYP2C9CYP1A2
SCHEMBL3438336 0.78 HCAR3 (0.61) LMNAHPGDMEN1KMT2AALDH1A1
SCHEMBL15992013 0.77 PPARG (0.60) MAPTLMNAHPGDCYP2C19CYP2C9
SCHEMBL15992290 0.76 PPARG (0.58) TP53LMNAHPGDCYP2C19CYP2C9
SCHEMBL2553688 0.74 MEN1 (0.52) TP53MAPTHPGDCYP2C19CYP2C9
SCHEMBL14800316 0.74 MEN1 (0.54) TP53MAPTHPGDMEN1KMT2A
SCHEMBL16731537 0.73 HPGD (0.59) TP53LMNAHPGDMEN1KMT2A
SCHEMBL3437993 0.72 KMT2A (0.58) TP53MAPTLMNAMEN1KMT2A
SCHEMBL2939210 0.72 FGFR1 (0.54) TP53MAPTLMNAHPGDCYP2C19
SCHEMBL2937848 0.71 HCAR3 (0.55) TP53MAPTLMNAHPGDMEN1

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
CN-118984827-A GLP-1R modulating compounds 歌礼生物科技(杭州)有限公司 2024-11-19 CN disclosed