SCHEMBL10257875

SCHEMBL10257875

Cc1nc2cccc(OCCNC(=O)C3CCCCC3)c2c(N)c1I1OCO1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.50
▸ MEN1 O00255 2/20 0.45
▸ TP53 P04637 7/20 0.44
▸ MAPT P10636 5/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ EPHX2 P34913 1/20 0.44
▸ RAB9A P51151 1/20 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
SCHEMBL10258937 0.84 KMT2A (0.53) KMT2AMEN1TP53MAPTSMN1; SMN2
SCHEMBL28451725 0.81 KMT2A (0.50) KMT2AMEN1TP53MAPTSMN1; SMN2
SCHEMBL28448945 0.79 KMT2A (0.48) KMT2AMEN1TP53MAPTSMN1; SMN2
SCHEMBL10250839 0.79 KMT2A (0.56) KMT2AMEN1TP53MAPTSMN1; SMN2
SCHEMBL15605486 0.73 SMYD3 (0.39) KMT2ATP53MAPTSMN1; SMN2NPC1
SCHEMBL10257491 0.73 DCPS (0.46) —
SCHEMBL10259580 0.70 SSTR4 (0.32) SMN1; SMN2NPC1RAB9A
SCHEMBL10267233 0.69 SCD (0.37) KMT2AMEN1MAPTSMN1; SMN2NPC1
SCHEMBL19901686 0.69 CCR5 (0.36) KMT2ATP53MAPTNPC1RAB9A
SCHEMBL621093 0.68 SSTR4 (0.40) KMT2AMEN1NPC1RAB9A

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
WO-2012021837-A2 METHOD OF IMPROVING STABILITY OF SWEET ENHANCER AND COMPOSITION CONTAINING STABILIZED SWEET ENHANCER SENOMYX, INC. (US) 2012-02-16 — — WO disclosed
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