SCHEMBL28609646

SCHEMBL28609646

C[C@@H](C=O)Cc1ccncc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.56
TSHR P16473 1/20 0.56
CYP3A4 P08684 3/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP19A1 P11511 2/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
LOXL2 Q9Y4K0 2/20 0.38
CYP2D6 P10635 1/20 0.37
HSD17B10 Q99714 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TAAR1 Q96RJ0 1/20 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
SCHEMBL14016311 1.00 TP53 (0.56) TP53TSHRCYP3A4ALDH1A1CYP1A2
SCHEMBL225582 0.78 TSHR (0.66) TP53TSHRALDH1A1CYP2C9LMNA
SCHEMBL31412811 0.78 TSHR (0.66) TP53TSHRALDH1A1CYP2C9LMNA
SCHEMBL3484487 0.78 TP53 (0.60) TP53TSHRCYP1A2SLC6A2SLC6A4
SCHEMBL286217 0.78 TP53 (0.60) TP53TSHRCYP1A2SLC6A2SLC6A4
SCHEMBL97559 0.78 TP53 (0.60) TP53TSHRCYP1A2SLC6A2SLC6A4
SCHEMBL7854586 0.77 FDPS (0.51) TP53TSHRALDH1A1CYP1A2CYP2D6
SCHEMBL31412800 0.77 TP53 (0.63) TP53TSHRCYP1A2MAPTMEN1
SCHEMBL227153 0.77 TP53 (0.63) TP53TSHRCYP1A2MAPTMEN1
SCHEMBL5872655 0.77 TSHR (0.63) TP53TSHRALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113201108-B (R) -CuTAPBP-COF polymer and preparation method and application thereof 山东师范大学 2022-11-08 CN claimed
CN-113201108-A (R) -CuTAPBP-COF polymer and preparation method and application thereof 山东师范大学 2021-08-03 CN claimed
CN-113201108-B (R) -CuTAPBP-COF polymer and preparation method and application thereof 山东师范大学 2022-11-08 CN disclosed
CN-113201108-B (R) -CuTAPBP-COF polymer and preparation method and application thereof 山东师范大学 2022-11-08 CN disclosed
CN-113201108-A (R) -CuTAPBP-COF polymer and preparation method and application thereof 山东师范大学 2021-08-03 CN disclosed
CN-113201108-A (R) -CuTAPBP-COF polymer and preparation method and application thereof 山东师范大学 2021-08-03 CN disclosed