SCHEMBL8149689

SCHEMBL8149689

O=c1[nH]nc(C=Cc2ccc3ccccc3c2)o1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.63
MAOA P21397 4/20 0.63
MTNR1B P49286 3/20 0.54
MTNR1A P48039 1/20 0.54
NOTUM Q6P988 1/20 0.52
RELA Q04206 1/20 0.49
ALDH1A1 P00352 3/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 2/20 0.44
POLB P06746 1/20 0.44
GFER P55789 1/20 0.44
PTGS1 P23219 1/20 0.44
NQO2 P16083 2/20 0.42
MAPT P10636 2/20 0.42
GLA P06280 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL8149687 1.00 MAOB (0.63) MAOBMAOAMTNR1BMTNR1ANOTUM
SCHEMBL8156447 0.82 ALDH1A1 (0.68) MAOBMAOARELAALDH1A1KMT2A
SCHEMBL8156451 0.82 ALDH1A1 (0.68) MAOBMAOARELAALDH1A1KMT2A
SCHEMBL5541941 0.75 MAOB (0.71) MAOBMAOAMTNR1BMTNR1ANOTUM
SCHEMBL5541948 0.75 MAOB (0.71) MAOBMAOAMTNR1BMTNR1ANOTUM
SCHEMBL5552166 0.73 RELA (0.86) RELAALDH1A1KMT2AKDM4EPTGS1
SCHEMBL5050698 0.73 RELA (0.86) RELAALDH1A1KMT2AKDM4EPTGS1
SCHEMBL5050695 0.73 RELA (0.86) RELAALDH1A1KMT2AKDM4EPTGS1
SCHEMBL29842519 0.73 RELA (0.86) RELAALDH1A1KMT2AKDM4EPTGS1
SCHEMBL5552162 0.73 RELA (0.86) RELAALDH1A1KMT2AKDM4EPTGS1

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