SCHEMBL30360652

SCHEMBL30360652

OCCc1cc2c(cc1Br)OCCO2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
MAPT P10636 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
BLM P54132 1/20 0.36
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
L3MBTL4 Q8NA19 1/20 0.35
HPGD P15428 2/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
MAOB P27338 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL19812792 1.00 MEN1 (0.43) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL30360689 0.90 CYP3A4 (0.48) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL17980277 0.90 CYP3A4 (0.48) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL30360658 0.82 PRKCI (0.36) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL19812759 0.82 PRKCI (0.36) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL2111736 0.76 MEN1 (0.45) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL29961170 0.74 CYP3A4 (0.46) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL281746 0.74 CYP3A4 (0.46) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL3526305 0.73 AHR (0.53) MEN1KMT2ASMN1; SMN2MAPTL3MBTL1
SCHEMBL20225725 0.72 PDCD1 (0.46) MEN1KMT2ASMN1; SMN2MAPTLMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116514761-A Compounds, compositions and uses thereof 赛诺维信制药公司 2023-08-01 CN disclosed
CN-116283877-A Compounds, compositions and uses thereof 赛诺维信制药公司 2023-06-23 CN disclosed
CN-110088107-B Compounds, compositions and uses thereof 赛诺维信制药公司 2023-04-14 CN disclosed