SCHEMBL30939620

SCHEMBL30939620

COc1cc(Oc2ccc(N3C(=O)N[C@H](C)C3=O)cc2)ccc1C

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
MAPT P10636 5/20 0.41
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
NTRK1 P04629 1/20 0.38
IGF1R P08069 1/20 0.38
FGFR1 P11362 1/20 0.38
NTRK2 Q16620 1/20 0.38
TSHR P16473 1/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.35
AR P10275 1/20 0.35

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
SCHEMBL1978190 1.00 LMNA (0.45) LMNAMAPTALDH1A1HSD17B10KDM4C
SCHEMBL30939545 0.90 MAPT (0.43) LMNAMAPTALDH1A1HSD17B10KDM4C
SCHEMBL1982553 0.90 MAPT (0.43) LMNAMAPTALDH1A1HSD17B10KDM4C
SCHEMBL1978849 0.85 DRD1 (0.40) MAPTALDH1A1HSD17B10KDM4CMEN1
SCHEMBL30939609 0.85 DRD1 (0.40) MAPTALDH1A1HSD17B10KDM4CMEN1
SCHEMBL1979642 0.84 LMNA (0.67) LMNAMAPTALDH1A1HSD17B10KDM4C
SCHEMBL30939549 0.84 LMNA (0.67) LMNAMAPTALDH1A1HSD17B10KDM4C
SCHEMBL30939557 0.83 LMNA (0.52) LMNAMAPTALDH1A1HSD17B10KDM4C
SCHEMBL1980208 0.83 LMNA (0.52) LMNAMAPTALDH1A1HSD17B10KDM4C
SCHEMBL21581670 0.82 KDM4C (0.35) MAPTALDH1A1HSD17B10KDM4CTSHR

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-118267386-A Modulators of KV3 channels for the treatment of pain 奥提芙尼治疗学有限公司 2024-07-02 CN disclosed
CN-108472288-B Modulators of KV3 channels for the treatment of pain 奥提芙尼治疗学有限公司 2024-05-28 CN disclosed