SCHEMBL14707987

SCHEMBL14707987

CC(=O)[C@H]1CCCC[C@H]1C(=O)N(N)Cc1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.45
▸ HPGD P15428 2/20 0.41
▸ RECQL P46063 1/20 0.41
▸ RAB9A P51151 2/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ LIN28A Q9H9Z2 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.37
▸ NPC1 O15118 1/20 0.37

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
SCHEMBL12900870 1.00 TSHR (0.45) TSHRHPGDRECQLRAB9ASMN1; SMN2
SCHEMBL9887648 1.00 TSHR (0.45) TSHRHPGDRECQLRAB9ASMN1; SMN2
SCHEMBL19625142 0.76 SMN1; SMN2 (0.50) TSHRSMN1; SMN2LMNAKMT2AALDH1A1
SCHEMBL23020652 0.74 HPGD (0.57) TSHRHPGDRECQLSMN1; SMN2CYP3A4
SCHEMBL20879998 0.74 HPGD (0.57) TSHRHPGDRECQLSMN1; SMN2CYP3A4
SCHEMBL47623 0.73 TSHR (0.43) TSHRHPGDRECQLRAB9ASMN1; SMN2
SCHEMBL47662 0.73 TSHR (0.43) TSHRHPGDRECQLRAB9ASMN1; SMN2
SCHEMBL18773876 0.69 TRPM8 (0.46) TSHRSMN1; SMN2KMT2AALDH1A1CYP1A2
SCHEMBL17468873 0.68 SMN1; SMN2 (0.41) TSHRRAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL14981005 0.68 CTSB (0.33) —

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-2013024048-A1 POLYMERIC HYPERBRANCHED CARRIER-LINKED PRODRUGS ASCENDIS PHARMA A/S (DK) 2013-02-21 — — WO disclosed
WO-2013024047-A1 HIGH-LOADING WATER-SOLUBLE CARRIER-LINKED PRODRUGS ASCENDIS PHARMA A/S (DK) 2013-02-21 — — WO disclosed
WO-2013024049-A1 PROTEIN CARRIER-LINKED PRODRUGS ASCENDIS PHARMA A/S (DK) 2013-02-21 — — WO disclosed
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