SCHEMBL7218100

SCHEMBL7218100

CCOC(=O)c1c(NC(=N)N)[nH]c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.61
KDM4E B2RXH2 8/20 0.51
ALDH1A1 P00352 5/20 0.49
HPGD P15428 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
HSD17B10 Q99714 3/20 0.49
LMNA P02545 3/20 0.49
TSHR P16473 3/20 0.49
MAPT P10636 2/20 0.49
GAA P10253 1/20 0.49
MAPK10 P53779 1/20 0.49
HTR6 P50406 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HCRTR1 O43613 1/20 0.48
RAB9A P51151 1/20 0.48
NR4A2 P43354 1/20 0.47

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
Hydrochloric Acid SCHEMBL7218097 0.99 ALOX5 (0.60) ALOX5KDM4EALDH1A1HPGDMEN1
SCHEMBL25942064 0.81 ALOX5 (0.50) ALOX5KDM4EALDH1A1HPGDMEN1
Hydrochloric Acid SCHEMBL31682859 0.79 KDM4E (0.73) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL30482846 0.77 ALDH1A1 (0.76) ALOX5KDM4EALDH1A1HPGDMEN1
SCHEMBL7215720 0.77 ALOX5 (0.56) ALOX5KDM4EALDH1A1HPGDMEN1
SCHEMBL2885446 0.77 NR4A2 (0.71) ALOX5KDM4EALDH1A1HPGDMEN1
SCHEMBL3276393 0.76 TUBB4A (0.67) ALOX5KDM4EALDH1A1HPGDMEN1
SCHEMBL5240966 0.74 ALOX5 (0.56) ALOX5KDM4EALDH1A1HPGDMEN1
SCHEMBL13676155 0.74 ALOX5 (0.51) ALOX5KDM4EALDH1A1HPGDHSD17B10
SCHEMBL14398894 0.73 KDM4E (0.61) ALOX5KDM4EALDH1A1HPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6596726-B1 Method of inhibiting epidermal growth factor by treating, with an effective inhibiting amount, a mammal, in need thereof inhibit the epidermal growth factor receptor and related receptors and, in particular, their tyrosine kinase enzyme WARNER LAMBERT COMPANY 2003-07-22 US disclosed
US-5679683-A USEFUL FOR TREATING CANCER, ARTHRITIS, PSORIASIS, VASCULAR RESTENOSIS AND ANGIOGENESIS WARNER-LAMBERT COMPANY (US) 1997-10-21 US disclosed
EP-0741711-A1 TRICYCLIC COMPOUNDS CAPABLE OF INHIBITING TYROSINE KINASES OF THE EPIDERMAL GROWTH FACTOR RECEPTOR FAMILY WARNER-LAMBERT COMPANY (US) 1996-11-13 EP disclosed
WO-1995019970-A1 TRICYCLIC COMPOUNDS CAPABLE OF INHIBITING TYROSINE KINASES OF THE EPIDERMAL GROWTH FACTOR RECEPTOR FAMILY WARNER-LAMBERT COMPANY (US) 1995-07-27 WO disclosed