SCHEMBL21087120

SCHEMBL21087120

C=C(C)Cc1cc(CN2C(=O)c3ccccc3C2=O)ccc1I

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.49
▸ KMT2A Q03164 3/20 0.47
▸ PKM P14618 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ HPGD P15428 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ PABPC1 P11940 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ HDAC1 Q13547 2/20 0.42
▸ HDAC7 Q8WUI4 2/20 0.42
▸ HDAC4 P56524 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ HDAC9 Q9UKV0 1/20 0.42
▸ HDAC5 Q9UQL6 1/20 0.42
▸ CASP3 P42574 3/20 0.41

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
SCHEMBL31689407 0.74 HPGD (0.55) KMT2APKMTSHRSMN1; SMN2HPGD
SCHEMBL31752032 0.73 KMT2A (0.63) KMT2APKMTSHRSMN1; SMN2HPGD
SCHEMBL6755812 0.71 HPGD (0.50) ALDH1A1KMT2APKMTSHRSMN1; SMN2
SCHEMBL7945209 0.70 CASP3 (0.55) KMT2ATSHRPOLBPABPC1ALOX15
SCHEMBL12905303 0.70 HDAC1 (0.68) ALDH1A1KMT2AHPGDPOLBHDAC1
SCHEMBL17432061 0.69 KMT2A (0.49) KMT2APKMTSHRSMN1; SMN2HPGD
SCHEMBL540514 0.69 CASP3 (0.62) ALDH1A1KMT2APKMTSHRSMN1; SMN2
SCHEMBL29802648 0.69 CASP3 (0.62) ALDH1A1KMT2APKMTSHRSMN1; SMN2
SCHEMBL9757668 0.69 KMT2A (0.56) ALDH1A1KMT2APKMTSHRSMN1; SMN2
SCHEMBL17866111 0.69 KMT2A (0.56) ALDH1A1KMT2APKMTSHRSMN1; SMN2

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
EP-2253333-B1 Contrast Agents for Myocardial Perfusion Imaging LANTHEUS MEDICAL IMAGING INC (US) 2019-06-12 — — EP disclosed
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