SCHEMBL28487869

SCHEMBL28487869

Fc1ccc(Br)c(-c2nc3cc(F)ccc3[nH]2)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ AMY1A P0DUB6 13/20 0.53
▸ KDR P35968 2/20 0.49
▸ MET P08581 1/20 0.49
▸ F2 P00734 1/20 0.42
▸ F10 P00742 1/20 0.42
▸ PLG P00747 1/20 0.42
▸ PLAU P00749 1/20 0.42
▸ PLAT P00750 1/20 0.42
▸ PRSS1 P07477 1/20 0.42
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ METAP2 P50579 2/20 0.41
▸ METAP1 P53582 2/20 0.41
▸ CBFB Q13951 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
SCHEMBL28492593 0.88 KDR (0.58) AMY1AKDRMETNPC1RAB9A
SCHEMBL28487873 0.87 AMY1A (0.68) AMY1AKDRMETF2F10
SCHEMBL1170649 0.82 KDM4E (0.52) AMY1ANPC1RAB9AALDH1A1PKM
SCHEMBL1284388 0.78 AMY1A (0.53) AMY1ANPC1RAB9AALDH1A1KDM4E
SCHEMBL4373640 0.76 KDM4E (0.69) NPC1RAB9AALDH1A1PKMKDM4E
SCHEMBL30566653 0.76 AMY1A (0.51) AMY1AF2F10PLGPLAU
SCHEMBL20767379 0.76 AMY1A (0.51) AMY1AF2F10PLGPLAU
SCHEMBL29824694 0.75 ALPL (0.40) AMY1ANPC1RAB9AALDH1A1KDM4E
SCHEMBL22955322 0.75 ALPL (0.40) AMY1ANPC1RAB9AALDH1A1KDM4E
SCHEMBL14969289 0.75 NPC1 (0.50) AMY1ANPC1RAB9AALDH1A1PKM

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
CN-111937892-A Application of Aza-type isoalburnine derivative in prevention and treatment of agricultural plant diseases 兰州大学 2020-11-17 — — CN disclosed
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