SCHEMBL28958701

SCHEMBL28958701

O=C(NCc1ccc(F)cc1)c1ccc(Cl)o1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.59
ALDH1A1 P00352 5/20 0.59
LMNA P02545 2/20 0.59
KDM4E B2RXH2 1/20 0.59
MAPT P10636 1/20 0.59
THRB P10828 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
USP2 O75604 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
POLB P06746 5/20 0.57
TP53 P04637 4/20 0.57
SMN1; SMN2 Q16637 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C19 P33261 1/20 0.51
RAB9A P51151 1/20 0.50
HSD17B10 Q99714 1/20 0.50

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
SCHEMBL28958702 0.85 HPGD (0.71) HPGDALDH1A1LMNAKDM4EMAPT
SCHEMBL6077802 0.75 L3MBTL1 (0.77) ALDH1A1LMNAPOLBSMN1; SMN2L3MBTL1
SCHEMBL6355362 0.75 POLB (0.72) LMNAPOLBTP53SMN1; SMN2L3MBTL1
SCHEMBL7159563 0.74 ALDH1A1 (1.00) HPGDALDH1A1LMNAMAPTTHRB
SCHEMBL6362752 0.74 KMT2A (0.60) HPGDALDH1A1LMNAPOLBL3MBTL1
SCHEMBL13568183 0.74 L3MBTL1 (0.60) LMNATDP1POLBTP53SMN1; SMN2
SCHEMBL20804634 0.74 L3MBTL1 (0.70) ALDH1A1LMNASMN1; SMN2L3MBTL1KMT2A
SCHEMBL18320105 0.73 LMNA (0.61) HPGDALDH1A1LMNAPOLBTP53
SCHEMBL5261794 0.73 MAPT (0.53) HPGDALDH1A1LMNAKDM4EMAPT
SCHEMBL6356258 0.73 PYGL (0.66) HPGDALDH1A1LMNAMAPTPOLB

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-115707699-A Anti-osteoporosis compound and application thereof 中国医学科学院医药生物技术研究所 2023-02-21 CN disclosed