SCHEMBL28635180

SCHEMBL28635180

COc1nccc(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
MAPT P10636 3/20 0.50
MEN1 O00255 2/20 0.50
ALDH1A1 P00352 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SQOR Q9Y6N5 3/20 0.45
CASP1 P29466 1/20 0.41
PDE4B Q07343 3/20 0.40
PDE4A P27815 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
CHEK1 O14757 1/20 0.39
CCNA2 P20248 1/20 0.39

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
SCHEMBL13144468 0.81 SQOR (0.57) KMT2AMAPTMEN1ALDH1A1NPC1
SCHEMBL16638841 0.80 KMT2A (0.49) KMT2AMAPTMEN1ALDH1A1NPC1
SCHEMBL13422264 0.77 DHODH (0.53) KMT2AMAPTMEN1ALDH1A1NPC1
SCHEMBL29956027 0.76 KMT2A (0.46) KMT2AMAPTMEN1ALDH1A1NPC1
SCHEMBL12960812 0.76 KMT2A (0.46) KMT2AMAPTMEN1ALDH1A1NPC1
SCHEMBL29223019 0.75 MAPT (0.45) KMT2AMAPTMEN1ALDH1A1NPC1
SCHEMBL28110823 0.75 CCNA2 (0.55) KMT2AMAPTMEN1ALDH1A1NPC1
SCHEMBL6516685 0.75 CHEK1 (0.46) KMT2AMAPTMEN1NPC1RAB9A
SCHEMBL4056518 0.74 DHODH (0.54) KMT2AMAPTMEN1ALDH1A1NPC1
SCHEMBL13752829 0.74 GABRA1 (0.50) KMT2AMAPTMEN1ALDH1A1NPC1

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-113429319-A Synthesis method of DPM ester 深圳瑞德林生物技术有限公司 2021-09-24 CN claimed
CN-113429319-A Synthesis method of DPM ester 深圳瑞德林生物技术有限公司 2021-09-24 CN disclosed
CN-113429319-A Synthesis method of DPM ester 深圳瑞德林生物技术有限公司 2021-09-24 CN disclosed