SCHEMBL28958728

SCHEMBL28958728

O=C(Nc1ccccc1)c1ccc(Cl)o1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.63
MAPT P10636 7/20 0.63
LMNA P02545 7/20 0.63
SMN1; SMN2 Q16637 6/20 0.63
MEN1 O00255 4/20 0.63
KMT2A Q03164 4/20 0.63
MAPK1 P28482 4/20 0.63
CASP3 P42574 1/20 0.63
RECQL P46063 1/20 0.63
SENP7 Q9BQF6 1/20 0.63
HPGD P15428 4/20 0.62
TSHR P16473 2/20 0.62
TDP1 Q9NUW8 2/20 0.62
KDM4E B2RXH2 2/20 0.59
NPSR1 Q6W5P4 1/20 0.59
PTPN1 P18031 1/20 0.56
PTPN11 Q06124 1/20 0.56
NPC1 O15118 5/20 0.53
ALDH1A1 P00352 5/20 0.53
TP53 P04637 1/20 0.53

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
SCHEMBL7718030 0.83 RAB9A (0.54) RAB9AMAPTLMNASMN1; SMN2MEN1
SCHEMBL3642839 0.82 MAPT (0.88) RAB9AMAPTLMNASMN1; SMN2MEN1
SCHEMBL29944827 0.81 L3MBTL1 (0.57) RAB9AMAPTLMNASMN1; SMN2MEN1
SCHEMBL7492161 0.78 LMNA (0.55) RAB9AMAPTLMNASMN1; SMN2MEN1
SCHEMBL14516655 0.78 KCNQ3 (0.50) RAB9AMAPTLMNASMN1; SMN2MEN1
SCHEMBL5784045 0.77 PTPN1 (0.82) RAB9AMAPTLMNASMN1; SMN2MEN1
SCHEMBL28958702 0.76 HPGD (0.71) RAB9AMAPTLMNASMN1; SMN2MEN1
SCHEMBL7492014 0.76 RAB9A (0.55) RAB9AMAPTLMNASMN1; SMN2MEN1
SCHEMBL14339878 0.76 KCNQ3 (0.57) RAB9ASMN1; SMN2
SCHEMBL6815538 0.76 CYP17A1 (0.49) RAB9AMAPTLMNASMN1; SMN2CASP3

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