SCHEMBL28042942

SCHEMBL28042942

O=c1ccc2c(I)c3ccccc3oc-2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 6/20 0.48
▸ CYP3A4 P08684 5/20 0.48
▸ MEN1 O00255 4/20 0.48
▸ KMT2A Q03164 4/20 0.48
▸ KDM4E B2RXH2 4/20 0.48
▸ CYP2C9 P11712 3/20 0.48
▸ CYP2C19 P33261 3/20 0.48
▸ SMN1; SMN2 Q16637 5/20 0.46
▸ NPC1 O15118 5/20 0.46
▸ RAB9A P51151 4/20 0.46
▸ AKR1C3 P42330 1/20 0.46
▸ AKR1C2 P52895 1/20 0.46
▸ AKR1C1 Q04828 1/20 0.46
▸ POLB P06746 2/20 0.46
▸ USP2 O75604 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ PLEC Q15149 1/20 0.46
▸ TNKS O95271 6/20 0.44
▸ TP53 P04637 3/20 0.44
▸ PARP1 P09874 3/20 0.44

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
SCHEMBL5730699 0.80 MEN1 (0.57) HPGDCYP3A4MEN1KMT2AKDM4E
SCHEMBL9351057 0.78 MEN1 (0.72) HPGDCYP3A4MEN1KMT2AKDM4E
SCHEMBL15346150 0.74 MEN1 (0.50) HPGDCYP3A4MEN1KMT2AKDM4E
SCHEMBL8947940 0.71 USP2 (0.58) HPGDCYP3A4MEN1KMT2AKDM4E
SCHEMBL17088308 0.70 MEN1 (0.49) HPGDCYP3A4MEN1KMT2AKDM4E
SCHEMBL17088304 0.70 USP2 (0.62) HPGDCYP3A4MEN1KMT2AKDM4E
SCHEMBL1423180 0.70 HPGD (0.67) HPGDCYP3A4MEN1KMT2AKDM4E
SCHEMBL8868150 0.67 KMT2A (0.48) HPGDMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL21760911 0.66 MEN1 (0.71) HPGDCYP3A4MEN1KMT2AKDM4E
SCHEMBL30933461 0.66 HPGD (0.75) HPGDCYP3A4MEN1KMT2AKDM4E

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-103547642-B For preserving the para-hydroxybenzoic acid esters derivatives of cellulose materials EMPIRE TECHNOLOGY DEVELOPMENT LLC (US) 2015-12-02 — — CN disclosed
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