SCHEMBL29640874

SCHEMBL29640874

CCC(C(=O)OC)c1cnc(C)nc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.38
ESR1 P03372 1/20 0.38
PRNP P04156 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 4/20 0.35
GAA P10253 3/20 0.35
THRB P10828 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
RECQL P46063 1/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.33
LMNA P02545 1/20 0.33
GPR88 Q9GZN0 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
P2RX3 P56373 1/20 0.33
P2RX2 Q9UBL9 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
SCHEMBL29640879 0.80 AKR1C3 (0.42) GAATHRBLMNAKDM4E
SCHEMBL2434546 0.79 EPHX1 (0.33) SMN1; SMN2GAATHRBTDP1LMNA
SCHEMBL1476384 0.75 L3MBTL1 (0.57) ESR2ESR1SMN1; SMN2L3MBTL1GAA
SCHEMBL18381730 0.73 KMT2A (0.60) L3MBTL1GAATDP1RECQLKMT2A
SCHEMBL18381729 0.73 KMT2A (0.60) L3MBTL1GAATDP1RECQLKMT2A
SCHEMBL29425354 0.73 KMT2A (0.60) L3MBTL1GAATDP1RECQLKMT2A
SCHEMBL174166 0.73 KMT2A (0.60) L3MBTL1GAATDP1RECQLKMT2A
SCHEMBL28733560 0.72 KMT2A (0.42) SMN1; SMN2KMT2AP2RX3P2RX2
SCHEMBL28369254 0.72 ALDH1A1 (0.47) SMN1; SMN2L3MBTL1GAATHRBKMT2A
SCHEMBL7716645 0.71 ESR1 (0.70) ESR2ESR1L3MBTL1TDP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112218857-B P300/CBP HAT inhibitors and methods of use thereof 星座制药公司 2023-11-21 CN disclosed
CN-114450005-A Compounds for the treatment of neurological disorders 星座制药公司 2022-05-06 CN disclosed