SCHEMBL4789246

SCHEMBL4789246

S=c1[nH]nc(-c2ccc3ccccc3c2)o1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.67
ALDH1A1 P00352 4/20 0.64
KDM4E B2RXH2 3/20 0.64
HPGD P15428 3/20 0.64
PPARG P37231 2/20 0.64
NCOA2 Q15596 2/20 0.64
NCOA1 Q15788 2/20 0.64
RXFP1 Q9HBX9 2/20 0.64
TDP1 Q9NUW8 1/20 0.64
POLB P06746 2/20 0.60
GFER P55789 2/20 0.60
MEN1 O00255 1/20 0.60
LMNA P02545 1/20 0.60
MAPT P10636 1/20 0.60
CRHBP P24387 1/20 0.60
KMT2A Q03164 1/20 0.60
CRHR2 Q13324 1/20 0.60
HSD17B10 Q99714 1/20 0.60
TYMP P19971 1/20 0.57
PKM P14618 1/20 0.56

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
SCHEMBL13984130 0.84 KDM4E (0.54) NOTUMALDH1A1KDM4EHPGDPPARG
SCHEMBL8149516 0.80 NOTUM (1.00) NOTUM
SCHEMBL29664459 0.80 NOTUM (1.00) NOTUM
SCHEMBL13984125 0.79 ALDH1A1 (0.92) NOTUMALDH1A1KDM4EHPGDPPARG
SCHEMBL9195816 0.72 SMN1; SMN2 (0.79) NOTUMALDH1A1KDM4EHPGDPOLB
SCHEMBL30594886 0.72 TYMP (0.70) ALDH1A1KDM4EHPGDPPARGNCOA2
SCHEMBL9222389 0.71 HSD17B10 (0.61) ALDH1A1KDM4EHPGDTDP1POLB
SCHEMBL17065364 0.69 ALDH1A1 (0.69) ALDH1A1KDM4EHPGDPPARGNCOA2
SCHEMBL23451476 0.69 SMN1; SMN2 (0.63) NOTUMALDH1A1KDM4EHPGDPOLB
SCHEMBL8156447 0.69 ALDH1A1 (0.68) ALDH1A1KDM4EHPGDPPARGNCOA2

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 9 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
WO-2008157407-A2 THIADIAZOLE, OXADIAZOLE AND TRIAZOLE DERIVATIVES FOR TREATING LEUKEMIA UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2008-12-24 WO disclosed
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