SCHEMBL6015550

SCHEMBL6015550

CC(=O)NCCOc1cccc2nc(O)nc(N)c12

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ MTNR1A P48039 7/20 0.50
▸ MTNR1B P49286 4/20 0.50
▸ DCPS Q96C86 6/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ NCF1 P14598 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ DHFR P00374 3/20 0.39
▸ CYBB P04839 1/20 0.39

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
SCHEMBL6015551 0.77 DCPS (0.49) KDM4EALDH1A1HPGDDCPSSMN1; SMN2
SCHEMBL6015536 0.76 KCNH2 (0.39) KDM4EALDH1A1HPGDDCPSL3MBTL1
SCHEMBL6015868 0.75 DCPS (0.46) DCPSDHFR
SCHEMBL6015553 0.74 DCPS (0.43) KDM4EALDH1A1HPGDDCPSL3MBTL1
SCHEMBL6015544 0.71 DCPS (0.57) DCPSDHFR
SCHEMBL25959237 0.70 TLR7 (0.42) KDM4EALDH1A1HPGDMTNR1AMTNR1B
SCHEMBL6015540 0.70 DCPS (0.47) DCPSDHFR
SCHEMBL21712415 0.69 TLR7 (0.53) KDM4EALDH1A1HPGDMTNR1A
SCHEMBL30662177 0.69 TLR7 (0.53) KDM4EALDH1A1HPGDMTNR1A
SCHEMBL3453971 0.69 KDM4E (0.64) KDM4EALDH1A1HPGDMTNR1AMTNR1B

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-2012054526-A2 CHEMOSENSORY RECEPTOR LIGAND-BASED THERAPIES ELCELYX THERAPEUTICS, INC. (US) 2012-04-26 — — WO disclosed
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