SCHEMBL7215714

SCHEMBL7215714

CCOC(=O)c1cn(N)c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.54
▸ LMNA P02545 2/20 0.54
▸ CNR1 P21554 1/20 0.54
▸ ALDH1A1 P00352 7/20 0.51
▸ HSD17B10 Q99714 2/20 0.51
▸ NR4A2 P43354 2/20 0.51
▸ KDM4E B2RXH2 6/20 0.50
▸ GAA P10253 3/20 0.50
▸ MAPT P10636 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ HPGD P15428 3/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ ATM Q13315 1/20 0.49
▸ CREBBP Q92793 1/20 0.48
▸ ELANE P08246 2/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ GLA P06280 1/20 0.48

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
SCHEMBL27939135 0.85 TSHR (0.54) TSHRLMNACNR1ALDH1A1HSD17B10
SCHEMBL6379635 0.83 NR4A2 (0.69) TSHRLMNACNR1ALDH1A1NR4A2
SCHEMBL13936213 0.83 NR4A2 (0.69) TSHRLMNAALDH1A1NR4A2KDM4E
SCHEMBL2090257 0.82 NR4A2 (0.76) TSHRLMNACNR1ALDH1A1NR4A2
SCHEMBL2457012 0.82 KMT2A (0.64) TSHRLMNACNR1ALDH1A1NR4A2
SCHEMBL15363131 0.80 ALDH1A1 (0.70) LMNACNR1ALDH1A1NR4A2KDM4E
SCHEMBL28806864 0.79 NR4A2 (0.72) TSHRLMNACNR1ALDH1A1NR4A2
SCHEMBL8694448 0.78 KMT2A (0.68) TSHRLMNACNR1ALDH1A1NR4A2
Hydrochloric Acid SCHEMBL7218094 0.78 CNR1 (0.48) TSHRLMNACNR1ALDH1A1HSD17B10
SCHEMBL15175852 0.77 KDM4E (0.52) TSHRLMNACNR1ALDH1A1NR4A2

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
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
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