SCHEMBL19332885

SCHEMBL19332885

O=C(Nc1ccccn1)c1cccc(Br)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 8/20 0.66
▸ RAB9A P51151 8/20 0.66
▸ GRM5 P41594 2/20 0.63
▸ SIRT2 Q8IXJ6 1/20 0.61
▸ ATM Q13315 1/20 0.60
▸ SORT1 Q99523 1/20 0.60
▸ MEN1 O00255 3/20 0.60
▸ KMT2A Q03164 3/20 0.60
▸ RXFP1 Q9HBX9 1/20 0.60
▸ KDM4E B2RXH2 1/20 0.60
▸ LMNA P02545 1/20 0.60
▸ HTT P42858 1/20 0.60
▸ L3MBTL1 Q9Y468 1/20 0.60
▸ CASP3 P42574 1/20 0.56
▸ SENP8 Q96LD8 1/20 0.56
▸ SENP7 Q9BQF6 1/20 0.56
▸ SENP6 Q9GZR1 1/20 0.56
▸ TLR4 O00206 1/20 0.56
▸ TLR2 O60603 1/20 0.56
▸ ALOX15 P16050 1/20 0.56

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
SCHEMBL16594642 0.83 RAB9A (0.83) NPC1RAB9ASORT1MEN1KMT2A
SCHEMBL28697902 0.82 NPC1 (0.77) NPC1RAB9AGRM5SORT1MEN1
SCHEMBL997866 0.82 RAB9A (0.89) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL29366822 0.82 RAB9A (0.89) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL8556579 0.82 GRM5 (0.67) NPC1RAB9AGRM5SIRT2MEN1
SCHEMBL7348632 0.82 RAB9A (0.66) NPC1RAB9ASIRT2MEN1KMT2A
SCHEMBL7096171 0.82 RAB9A (0.66) NPC1RAB9AGRM5SIRT2MEN1
SCHEMBL2943454 0.82 RAB9A (0.66) NPC1RAB9AGRM5SIRT2MEN1
SCHEMBL30643223 0.82 GRM5 (0.67) NPC1RAB9AGRM5SIRT2MEN1
SCHEMBL28671588 0.82 GRM5 (0.67) NPC1RAB9AGRM5SIRT2MEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109053558-B Synthesis method of N-heterocyclic amide derivative 贵州大学 2022-02-18 — — CN disclosed
EP-3426260-A1 C-GLYCOSIDE COMPOUNDS USEFUL FOR TREATING DISEASE Fimbrion Therapeutics, Inc. (US) 2019-01-16 — — EP disclosed
WO-2017156508-A1 C-GLYCOSIDE COMPOUNDS USEFUL FOR TREATING DISEASE FIMBRION THERAPEUTICS, INC. (US) 2017-09-14 — — WO disclosed
WO-2017156508-A1 C-GLYCOSIDE COMPOUNDS USEFUL FOR TREATING DISEASE FIMBRION THERAPEUTICS, INC. (US) 2017-09-14 — — WO disclosed
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