SCHEMBL23291847

SCHEMBL23291847

O=C(NCCOCCOCCCCCCCl)c1ccc2c(c1)C1(OC2=O)c2cc(F)[c]cc2Oc2c[c]c(F)cc21

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 2/20 0.36
▸ MAPK14 Q16539 3/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.33
▸ RORC P51449 1/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ TTR P02766 1/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ HPGD P15428 2/20 0.32
▸ PDK2 Q15119 3/20 0.31
▸ KCNH2 Q12809 2/20 0.31
▸ RAB9A P51151 2/20 0.30
▸ OPRM1 P35372 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ TP53 P04637 1/20 0.30

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
SCHEMBL23291866 0.87 NT5E (0.38) NT5EHDAC6RORCSMN1; SMN2TTR
SCHEMBL30112575 0.83 NT5E (0.41) NT5EHDAC6RORCSMN1; SMN2TTR
SCHEMBL24942496 0.83 NT5E (0.41) NT5EHDAC6RORCSMN1; SMN2TTR
SCHEMBL31696933 0.81 NT5E (0.37) NT5EMAPK14HDAC6RORCTTR
SCHEMBL13435046 0.80 KMT2A (0.53) NT5ERORCSMN1; SMN2TTRHPGD
SCHEMBL18526322 0.80 NT5E (0.41) NT5EHDAC6RORCSMN1; SMN2TTR
SCHEMBL22126287 0.80 KMT2A (0.36) NT5EMAPK14SMN1; SMN2RAB9AHTT
SCHEMBL18526325 0.79 NT5E (0.40) NT5EHDAC6RORCTTRJAK2
SCHEMBL34465270 0.78 PRMT1 (0.49) NT5EHDAC6RORCSMN1; SMN2TTR
SCHEMBL995937 0.78 FTO (0.49) NT5ERORCTTRJAK2HPGD

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-3816180-A1 CIRCULARLY PERMUTATED HALOALKANE TRANSFERASE FUSION MOLECULES Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2021-05-05 — — EP disclosed
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