SCHEMBL16972705

SCHEMBL16972705

O=C(O)C1=C2C=CN2c2ccccc2C1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 6/20 0.38
TSHR P16473 1/20 0.38
HPGD P15428 2/20 0.37
MAPT P10636 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 2/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 3/20 0.35
CYP3A4 P08684 1/20 0.35
PABPC1 P11940 1/20 0.35
BLM P54132 1/20 0.35
HSD17B10 Q99714 1/20 0.33
DRD3 P35462 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALOX15 P16050 1/20 0.32

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
SCHEMBL1515682 0.74 NOTUM (0.36) NOTUMTSHRHPGDMAPTMEN1
SCHEMBL17701125 0.70 CYP1A2 (0.48) NOTUMTSHRALDH1A1SMN1; SMN2ALOX15
SCHEMBL30225424 0.70 CYP1A2 (0.48) NOTUMTSHRALDH1A1SMN1; SMN2ALOX15
SCHEMBL2844835 0.68 NOTUM (0.36) NOTUMTSHRHPGDMAPTMEN1
SCHEMBL8970133 0.67 NOTUM (0.37) NOTUMTSHRHPGDMAPTMEN1
SCHEMBL30417865 0.66 HPGD (0.45) NOTUMTSHRHPGDMAPTMEN1
SCHEMBL9727871 0.64 HPGD (0.46) NOTUMTSHRHPGDMAPTMEN1
SCHEMBL5253272 0.64 NOTUM (0.35) NOTUMTSHRHPGDMAPTMEN1
SCHEMBL27489322 0.64 NOTUM (0.56) NOTUMTSHRHPGDMAPTMEN1
SCHEMBL12401716 0.61 SRD5A2 (0.49) NOTUMTSHRHPGDKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3099301-A2 TREATMENTS FOR RESISTANT ACNE Vyome Biosciences Pvt Ltd (IN) 2016-12-07 EP disclosed
WO-2015114666-A9 TREATMENTS FOR RESISTANT ACNE VYOME BIOSCIENCES PVT. LTD. (IN) 2016-10-20 WO disclosed
WO-2015114666-A2 TREATMENTS FOR RESISTANT ACNE VYOME BIOSCIENCES PVT. LTD. (IN) 2015-08-06 WO disclosed