SCHEMBL31036724

SCHEMBL31036724

O=C(CC1OC(=O)c2ccccc2S1)c1ccc(Br)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.51
GSK3B P49841 4/20 0.45
MAPT P10636 5/20 0.39
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
HPGD P15428 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HDAC1 Q13547 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36

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
SCHEMBL31036753 0.89 MAPT (0.41) SMN1; SMN2GSK3BMAPTALDH1A1MEN1
SCHEMBL31036644 0.87 MAPT (0.41) SMN1; SMN2GSK3BMAPTALDH1A1MEN1
SCHEMBL31036760 0.87 HTT (0.46) SMN1; SMN2GSK3BMAPTALDH1A1MEN1
SCHEMBL31036768 0.87 NPC1 (0.39) SMN1; SMN2MAPTMEN1KMT2AHPGD
SCHEMBL31036700 0.84 MAPT (0.56) GSK3BMAPTALDH1A1KMT2AHPGD
SCHEMBL31036675 0.84 GSK3B (0.41) SMN1; SMN2GSK3BMAPTHPGDKDM4E
SCHEMBL31036758 0.83 GSK3B (0.43) GSK3BMAPTALDH1A1MEN1KMT2A
SCHEMBL31036770 0.82 HPGD (0.36) SMN1; SMN2MAPTALDH1A1MEN1KMT2A
SCHEMBL31036776 0.79 MEN1 (0.43) SMN1; SMN2MAPTMEN1KMT2AHPGD
SCHEMBL31036673 0.78 KDM4E (0.64) SMN1; SMN2MAPTALDH1A1MEN1KMT2A

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
WO-2024214103-A1 A DENTAL COMPOSITE AND METHOD OF PHOTO-INDUCED POLYMERISATION USING NOVEL CO-INITIATOR SHIV NADAR (INSTITUTION OF EMINENCE DEEMED TO BE UNIVERSITY) (IN) 2024-10-17 WO claimed
WO-2024214103-A1 A DENTAL COMPOSITE AND METHOD OF PHOTO-INDUCED POLYMERISATION USING NOVEL CO-INITIATOR SHIV NADAR (INSTITUTION OF EMINENCE DEEMED TO BE UNIVERSITY) (IN) 2024-10-17 WO disclosed
WO-2024189634-A1 HIGHLY ATOM ECONOMICAL PROCESS FOR SYNTHESIS OF NOVEL CO-INITIATOR FOR PHOTO-INDUCED RADICAL POLYMERISATION SHIV NADAR (INSTITUTION OF EMINENCE DEEMED TO BE UNIVERSITY) (IN) 2024-09-19 WO disclosed