SCHEMBL22992500

SCHEMBL22992500

C=C1Oc2ccccc2[C@H]1CC

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
USP2 O75604 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GRM8 O00222 2/20 0.38
GRM7 Q14831 2/20 0.38
GRM4 Q14833 2/20 0.38
MAPT P10636 2/20 0.36
PKM P14618 1/20 0.36
HTT P42858 1/20 0.36
ATM Q13315 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.34

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
SCHEMBL29737271 0.84 MAOA (0.52) KMT2AMEN1USP2MAOAMAOB
SCHEMBL1077580 0.84 MAOA (0.52) KMT2AMEN1USP2MAOAMAOB
SCHEMBL10690124 0.77 KMT2A (0.45) KMT2AMEN1USP2MAOAMAOB
SCHEMBL17875264 0.77 KMT2A (0.45) KMT2AMEN1USP2MAOAMAOB
SCHEMBL10837410 0.77 KMT2A (0.45) KMT2AMEN1USP2MAOAMAOB
SCHEMBL19561697 0.76 KMT2A (0.40) KMT2AMEN1USP2MAOAMAOB
SCHEMBL11058577 0.75 KMT2A (0.38) KMT2AMEN1USP2MAOAMAOB
SCHEMBL19954827 0.75 KMT2A (0.37) KMT2AMEN1USP2MAOAMAOB
SCHEMBL22992504 0.75 POLB (0.52) KMT2AMEN1USP2L3MBTL1TSHR
SCHEMBL22992502 0.75 POLB (0.52) KMT2AMEN1USP2L3MBTL1TSHR

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
WO-2021027721-A1 IMMUNOMODULATOR 成都先导药物开发股份有限公司 2021-02-18 WO disclosed