SCHEMBL29079043

SCHEMBL29079043

COCCn1c(C)cc(B(O)O)cc1=O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
MAPT P10636 10/20 0.38
POLB P06746 3/20 0.38
TP53 P04637 1/20 0.38
LMNA P02545 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36

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
SCHEMBL12080834 0.79 POLB (0.61) ALDH1A1MAPTPOLBTP53LMNA
SCHEMBL29079095 0.76 ALDH1A1 (0.49) ALDH1A1MAPTPOLBTP53LMNA
SCHEMBL4767957 0.75 ALDH1A1 (0.52) ALDH1A1MAPTPOLBLMNASMN1; SMN2
SCHEMBL5004868 0.72 ACACB (0.42) ALDH1A1MEN1KMT2A
SCHEMBL21928103 0.70 POLB (0.57) ALDH1A1POLBLMNAKMT2A
SCHEMBL29079094 0.70 GRIA2 (0.44) ALDH1A1POLBLMNAKDM4EMEN1
SCHEMBL10587273 0.69 ALDH1A1 (0.49) ALDH1A1MAPTPOLBTP53KDM4E
SCHEMBL15507004 0.68 ALDH1A1 (0.47) ALDH1A1MAPTPOLBKDM4EHPGD
SCHEMBL3665175 0.67 ALDH1A1 (0.40) ALDH1A1MAPTTP53LMNASMN1; SMN2
SCHEMBL12957768 0.65 ALDH1A1 (0.47) ALDH1A1MAPTTP53LMNASMN1; SMN2

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-116640094-A Compounds as PRMT1 inhibitors and uses thereof 南京圣和药业股份有限公司 2023-08-25 CN disclosed