SCHEMBL8156447

SCHEMBL8156447

S=c1[nH]nc(/C=C/c2ccc3ccccc3c2)o1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.68
KMT2A Q03164 4/20 0.68
GFER P55789 3/20 0.68
KDM4E B2RXH2 3/20 0.68
POLB P06746 2/20 0.68
MEN1 O00255 3/20 0.50
GAA P10253 1/20 0.50
RELA Q04206 1/20 0.49
HPGD P15428 3/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 1/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PTGS1 P23219 1/20 0.44
MAOB P27338 4/20 0.43
MAOA P21397 2/20 0.43
NQO2 P16083 2/20 0.42
GLA P06280 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL8156451 1.00 ALDH1A1 (0.68) ALDH1A1KMT2AGFERKDM4EPOLB
SCHEMBL8149689 0.82 MAOB (0.63) ALDH1A1KMT2AGFERKDM4EPOLB
SCHEMBL8149687 0.82 MAOB (0.63) ALDH1A1KMT2AGFERKDM4EPOLB
SCHEMBL5552162 0.73 RELA (0.86) ALDH1A1KMT2AKDM4EMEN1RELA
SCHEMBL5552166 0.73 RELA (0.86) ALDH1A1KMT2AKDM4EMEN1RELA
SCHEMBL5050695 0.73 RELA (0.86) ALDH1A1KMT2AKDM4EMEN1RELA
SCHEMBL29842519 0.73 RELA (0.86) ALDH1A1KMT2AKDM4EMEN1RELA
SCHEMBL5050698 0.73 RELA (0.86) ALDH1A1KMT2AKDM4EMEN1RELA
SCHEMBL5548827 0.69 RELA (0.78) ALDH1A1KMT2AKDM4EMEN1RELA
SCHEMBL5548830 0.69 RELA (0.78) ALDH1A1KMT2AKDM4EMEN1RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2000511883-A 2000-09-12 JP claimed
US-5958957-A PROTEIN TYROSINE PHOSPHATASES, PROTEINS WITH SRC-MONOLOGY 2-DOMAINS; ANTICARCINOGENIC,-TUMOR AND DIABETIC AGENTS; PURIFICATION OF PROTEINS AND GLYCOPROTEINS; MEDICAL DIAGNOSIS NOVO NORDISK A/S (DK) 1999-09-28 US claimed
WO-1997040017-A2 MODULATORS OF MOLECULES WITH PHOSPHOTYROSINE RECOGNITION UNITS NOVO NORDISK A/S (DK) 1997-10-30 WO claimed
US-6080770-A SUBSTITUTED 1,2,3-TRIAZOLE OR 1,2,4-TRIAZOLE COMPOUND NOVO NORDISK A/S (DK) 2000-06-27 US disclosed
US-6063800-A Modulators of molecules with phosphotyrosine recognition units NOVO NORDISK A/S (DK) 2000-05-16 US disclosed
US-5972978-A FOR USE IN TREATMENT OF HUMAN AND ANIMAL DISORDERS, USE FOR PURIFICATION OF PROTEINS OR GLYCOPROTEINS, USE IN DIAGNOSIS NOVO NORDISK A/S (DK) 1999-10-26 US disclosed
US-5958957-A PROTEIN TYROSINE PHOSPHATASES, PROTEINS WITH SRC-MONOLOGY 2-DOMAINS; ANTICARCINOGENIC,-TUMOR AND DIABETIC AGENTS; PURIFICATION OF PROTEINS AND GLYCOPROTEINS; MEDICAL DIAGNOSIS NOVO NORDISK A/S (DK) 1999-09-28 US disclosed
WO-1997040017-A2 MODULATORS OF MOLECULES WITH PHOSPHOTYROSINE RECOGNITION UNITS NOVO NORDISK A/S (DK) 1997-10-30 WO disclosed