SCHEMBL8579065

SCHEMBL8579065

O=C(O)c1ccc(-c2nnc(-c3ccc(C(=O)O)c(C(=O)O)c3)o2)cc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 9/20 0.55
▸ RAB9A P51151 9/20 0.55
▸ MYC P01106 2/20 0.52
▸ SNCA P37840 2/20 0.52
▸ KMT2A Q03164 2/20 0.51
▸ PTPN1 P18031 1/20 0.49
▸ RARA P10276 2/20 0.48
▸ RARB P10826 2/20 0.48
▸ RARG P13631 2/20 0.48
▸ SMN1; SMN2 Q16637 5/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ TSHR P16473 4/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ GFER P55789 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ TP53 P04637 2/20 0.42
▸ MECP2 P51608 1/20 0.42
▸ NFKB1 P19838 1/20 0.42

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
SCHEMBL10483674 0.87 MYC (0.67) NPC1RAB9AMYCKMT2APTPN1
SCHEMBL11809878 0.80 NPC1 (0.60) NPC1RAB9AMYCKMT2APTPN1
SCHEMBL33365 0.80 KMT2A (0.62) KMT2AKDM4EGFERRXFP1ALDH1A1
SCHEMBL30690397 0.80 KMT2A (0.62) KMT2AKDM4EGFERRXFP1ALDH1A1
SCHEMBL30690398 0.80 KMT2A (0.62) KMT2AKDM4EGFERRXFP1ALDH1A1
SCHEMBL11809704 0.79 NPC1 (0.58) NPC1RAB9AMYCKMT2APTPN1
SCHEMBL9550353 0.78 KMT2A (0.60) KMT2APTPN1KDM4EGFERRXFP1
Hydrochloric Acid SCHEMBL893804 0.78 KMT2A (0.60) KMT2AKDM4EGFERRXFP1ALDH1A1
SCHEMBL4449185 0.78 KMT2A (0.60) KMT2AKDM4EGFERRXFP1ALDH1A1
SCHEMBL277684 0.78 KMT2A (0.60) KMT2AKDM4EGFERRXFP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-10120784-A — — None — — JP disclosed
JP-H10120784-A NEW POLYIMIDE COMPOSITION AND POLYIMIDE FILM KANEGAFUCHI CHEM IND CO LTD 1998-05-12 — — JP disclosed
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