SCHEMBL7830294

SCHEMBL7830294

COc1ccc(-c2c(C(=O)O)c(C[S+]([O-])c3nc4ccccc4[nH]3)nc3cc(OC)c(OC)cc23)cc1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AMY1A P0DUB6 1/20 0.40
▸ TSHR P16473 1/20 0.39
▸ MAPK10 P53779 1/20 0.39
▸ GUSB P08236 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ HPGD P15428 2/20 0.38
▸ PDE4A P27815 2/20 0.38
▸ PDE4B Q07343 2/20 0.38
▸ PDE4C Q08493 2/20 0.38
▸ PDE4D Q08499 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ DHODH Q02127 1/20 0.38
▸ MAPT P10636 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ PDE10A Q9Y233 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
SCHEMBL7820993 0.90 SLC10A2 (0.47) AMY1ATSHRMAPK10SMN1; SMN2NPC1
SCHEMBL8495782 0.86 SLC10A2 (0.43) AMY1ATSHRMAPK10SMN1; SMN2NPC1
SCHEMBL7831401 0.81 SMN1; SMN2 (0.54) SMN1; SMN2NPC1TP53RAB9AKDM4E
SCHEMBL14917022 0.77 PDE5A (0.48) GUSBSMN1; SMN2NPC1KDM4EHPGD
SCHEMBL7835671 0.77 SLC10A2 (0.36) SMN1; SMN2RAB9AKDM4EHPGDDHODH
SCHEMBL8491270 0.77 AMY1A (0.39) AMY1ATSHRMAPK10GUSBSMN1; SMN2
SCHEMBL8121664 0.76 FABP3 (0.53) SMN1; SMN2KDM4EHPGDPDE4APDE4B
SCHEMBL8633281 0.75 ALDH1A1 (0.44) GUSBSMN1; SMN2KDM4EHPGDPDE4A
SCHEMBL7830290 0.74 PDE10A (0.43) AMY1ATSHRMAPK10GUSBSMN1; SMN2
SCHEMBL7821021 0.73 MAPK1 (0.53) TSHRGUSBSMN1; SMN2KDM4EHPGD

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
EP-0567107-B1 Quinoline and quinazoline derivatives for treating arthritis TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-11-21 — — EP claimed
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