SCHEMBL29126064

SCHEMBL29126064

O=c1[nH]nc(CSCCOc2cc(Oc3ccccc3)ccc2Oc2ccccc2)[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.54
▸ MMP13 P45452 1/20 0.54
▸ TSHR P16473 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.38
▸ NTRK1 P04629 7/20 0.38
▸ NTRK2 Q16620 7/20 0.38
▸ NTRK3 Q16288 6/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ LMNA P02545 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HSD17B10 Q99714 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
SCHEMBL30788477 1.00 KMT2A (0.54) KMT2AMMP13TSHRALDH1A1NTRK1
SCHEMBL29125917 0.89 ALDH1A1 (0.43) KMT2AMMP13ALDH1A1NTRK1NTRK2
SCHEMBL30788487 0.89 ALDH1A1 (0.43) KMT2AMMP13ALDH1A1NTRK1NTRK2
SCHEMBL29125771 0.82 KMT2A (0.54) KMT2AMMP13TSHRALDH1A1KDM4E
SCHEMBL29126069 0.77 KMT2A (0.44) KMT2AMMP13TSHRALDH1A1NTRK1
SCHEMBL30788491 0.77 KMT2A (0.52) KMT2AMMP13TSHRALDH1A1KDM4E
SCHEMBL29125858 0.77 KMT2A (0.52) KMT2AMMP13TSHRALDH1A1KDM4E
SCHEMBL29125948 0.76 KMT2A (0.53) KMT2AMMP13TSHRALDH1A1KDM4E
SCHEMBL29125734 0.74 TSHR (0.40) KMT2AMMP13TSHRALDH1A1KDM4E
SCHEMBL29125687 0.73 TSHR (0.44) KMT2AMMP13TSHRALDH1A1KDM4E

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-117247361-A Phenol-oxazolone/thioketone compound and synthetic method and application thereof 吉首大学 2023-12-19 — — CN disclosed
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